Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T59328 | Target Info | |||
| Target Name | Epidermal growth factor receptor (EGFR) | ||||
| Synonyms | Receptor tyrosine-protein kinase erbB-1; Proto-oncogene c-ErbB-1; HER1; ERBB1; ERBB | ||||
| Target Type | Successful Target | ||||
| Gene Name | EGFR | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Lapatinib | Ligand Info | |||||
| Structure Description | EGFR kinase domain complexed with a quinazoline inhibitor- GW572016 | PDB:1XKK | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPVKIPVAIK745 ELREKANKEI759 LDEAYVMASV 769 DNPHVCRLLG779 ICLTSTVQLI789 TQLMPFGCLL799 DYVREHKDNI809 GSQYLLNWCV 819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA859 KLLGAEEKVP 877 IKWMALESIL887 HRIYTHQSDV897 WSYGVTVWEL907 MTFGSKPYDG917 IPASEISSIL 927 EKGERLPQPP937 ICTIDVYMIM947 VKCWMIDADS957 RPKFRELIIE967 FSKMARDPQR 977 YLVIQGDERM987 SNFYRALMDE1004 VVDADEYLI
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LEU718
3.870
GLY719
4.124
VAL726
3.854
ALA743
3.334
ILE744
4.349
LYS745
3.414
MET766
3.317
CYS775
3.424
ARG776
3.123
LEU777
3.371
LEU788
3.100
ILE789
4.160
THR790
3.138
GLN791
3.195
|
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| Ligand Name: Brigatinib | Ligand Info | |||||
| Structure Description | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | PDB:7AEM | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [2] |
| PDB Sequence |
SGEAPNQALL
704 RILKETEFKK714 IKVLGSGAFG724 TVYKGLWIPE734 GEKVKIPVAI744 KELATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLITQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDER986 MHLPLMDEED1006 MDDVVDADEY 1016 LI
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LEU718
3.663
GLY719
3.649
PHE723
3.562
VAL726
3.766
ALA743
3.266
LYS745
4.226
THR790
3.893
GLN791
3.498
LEU792
3.620
MET793
2.921
PRO794
3.438
|
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| Ligand Name: Erlotinib | Ligand Info | |||||
| Structure Description | Epidermal Growth Factor Receptor tyrosine kinase domain with 4-anilinoquinazoline inhibitor erlotinib | PDB:1M17 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [3] |
| PDB Sequence |
GEAPNQALLR
681 ILKETEFKKI691 KVLGSGAFGT701 VYKGLWIPEG711 EKVKIPVAIK721 ELREATSPKA 731 NKEILDEAYV741 MASVDNPHVC751 RLLGICLTST761 VQLITQLMPF771 GCLLDYVREH 781 KDNIGSQYLL791 NWCVQIAKGM801 NYLEDRRLVH811 RDLAARNVLV821 KTPQHVKITD 831 FGLAKLLGAE841 EKEYHAEGGK851 VPIKWMALES861 ILHRIYTHQS871 DVWSYGVTVW 881 ELMTFGSKPY891 DGIPASEISS901 ILEKGERLPQ911 PPICTIDVYM921 IMVKCWMIDA 931 DSRPKFRELI941 IEFSKMARDP951 QRYLVIQGDE961 RMHLMDEEDM983 DDVVDADEYL 993 IP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AQ4 or .AQ42 or .AQ43 or :3AQ4;style chemicals stick;color identity;select .A:694 or .A:695 or .A:702 or .A:719 or .A:721 or .A:738 or .A:742 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:771 or .A:772 or .A:773 or .A:820 or .A:830 or .A:831; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.269
GLY695
4.503
VAL702
4.191
ALA719
3.307
LYS721
3.700
GLU738
3.806
MET742
4.632
LEU764
3.431
ILE765
4.451
THR766
3.406
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ibrutinib | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib | PDB:5YU9 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [4] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 KANKEILDEA 763 YVMASVDNPH773 VCRLLGICLT783 STVQLIMQLM793 PFGCLLDYVR803 EHKDNIGSQY 813 LLNWCVQIAK823 GMNYLEDRRL833 VHRDLAARNV843 LVKTPQHVKI853 TDFGLAKLLK 875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMHLPSPTDS995 NFYRALMDEE1005 DMDDVVDADE1015 YL |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1E8 or .1E82 or .1E83 or :31E8;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.651
GLY719
3.593
SER720
4.926
VAL726
3.800
ALA743
3.201
ILE744
4.874
LYS745
3.834
MET766
3.484
CYS775
4.182
ARG776
4.780
LEU777
4.330
LEU788
3.554
MET790
3.296
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| Ligand Name: Afatinib | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase in complex with BIBW2992 | PDB:4G5J | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [5] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSTVYKG729 LWIPEGEKVK739 IPVAIKEKEI759 LDEAYVMASV 769 DNPHVCRLLG779 ICLTSTVQLI789 TQLMPFGCLL799 DYVREHKDNI809 GSQYLLNWCV 819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA859 KLLGAEEKEY 869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT909 FGSKPYDGIP 919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP959 KFRELIIEFS 969 KMARDPQRYL979 VIQGDERMHL989 PSPTDSNFYR999 ALMDEEDMDD1009 VVDADEY |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0WM or .0WM2 or .0WM3 or :30WM;style chemicals stick;color identity;select .A:795 or .A:801 or .A:805 or .A:807 or .A:808 or .A:809 or .A:813 or .A:817 or .A:848 or .A:985 or .A:986 or .A:987 or .A:988 or .A:989; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Gefitinib | Ligand Info | |||||
| Structure Description | Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib | PDB:4I22 | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [6] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRK754 ANKEILDEAY 764 VMASVDNPHV774 CRLLGICLTS784 TVQLIMQLMP794 FGCLLDYVRE804 HKDNIGSQYL 814 LNWCVQIAKG824 MNYLEDRRLV834 HRDLAARNVL844 VKTPQHVKIT854 DFGRAKLLVP 877 IKWMALESIL887 HRIYTHQSDV897 WSYGVTVWEL907 MTFGSKPYDG917 IPASEISSIL 927 EKGERLPQPP937 ICTIDVYMIM947 RKCWMIDADS957 RPKFRELIIE967 FSKMARDPQR 977 YLVIQGDERM987 HLPSPTDSNF997 YRALMDEEDM1007 DDVVDAD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IRE or .IRE2 or .IRE3 or :3IRE;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.130
GLY719
3.916
VAL726
3.772
ALA743
3.482
ILE744
3.876
LYS745
3.454
LEU788
3.309
ILE789
4.442
MET790
3.435
GLN791
3.204
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Dacomitinib | Ligand Info | |||||
| Structure Description | Structure of T790M EGFR kinase domain co-crystallized with dacomitinib | PDB:4I24 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [6] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELAN756 KEILDEAYVM 766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK806 DNIGSQYLLN 816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF856 GLAKLLVPIK 879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT909 FGSKPYDGIP919 ASEISSILEK 929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP959 KFRELIIEFS969 KMARDPQRYL 979 VIQGDERMHL989 PSPTDSNFYR999 ALMDEEDMDD1009 VVDAD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1C9 or .1C92 or .1C93 or :31C9;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.821
VAL726
3.981
ALA743
3.356
ILE744
3.861
LYS745
3.387
LEU788
3.203
ILE789
4.371
MET790
3.407
GLN791
3.178
LEU792
3.740
MET793
2.917
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Osimertinib | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with Osimertinib | PDB:6LUD | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [7] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGSLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLLGAAAAEY869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT 909 FGSKPYDGIP919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP 959 KFRELIIEFS969 KMARDPQRYL979 VIQGDERMHL989 PALMDEEDMD1008 DVVDADEYLI 1018
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YY3 or .YY32 or .YY33 or :3YY3;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:728 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:844 or .A:1001; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: CO-1686 | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with CO-1686 | PDB:5XDK | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [8] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELRATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDER986 MHLPDMDDVV1011 DADEYLI |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8JC or .8JC2 or .8JC3 or :38JC;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:728 or .A:743 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: AEE-788 | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain L858R mutation in complex with AEE788 | PDB:2ITT | ||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | Yes | [9] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLITQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAKLLGAEE866 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985 RMHLMDEEDM1007 DDVVDADEYL1017 IP |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AEE or .AEE2 or .AEE3 or :3AEE;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:800 or .A:804 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.810
VAL726
4.140
ALA743
3.665
ILE744
4.168
LYS745
3.576
GLU762
4.641
MET766
3.223
LEU788
3.603
ILE789
4.509
THR790
3.222
GLN791
3.101
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: TAK-285 | Ligand Info | |||||
| Structure Description | EGFR Kinase domain complexed with tak-285 | PDB:3POZ | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [10] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPVKIPVAI744 KELANKEILD761 EAYVMASVDN 771 PHVCRLLGIC781 LTSTVQLITQ791 LMPFGCLLDY801 VREHKDNIGS811 QYLLNWCVQI 821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLAKL861 LGAEEKKVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGDERMH988 LPSPTDSNFY998 RALMDVVDAD1014 EYL
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .03P or .03P2 or .03P3 or :303P;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:853 or .A:854 or .A:855 or .A:856 or .A:858 or .A:1001; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.936
GLY719
4.487
VAL726
3.470
ALA743
3.346
ILE744
4.445
LYS745
3.397
MET766
3.356
CYS775
3.181
ARG776
3.447
LEU777
3.287
LEU788
3.230
ILE789
4.423
THR790
3.474
GLN791
3.318
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of an EGFR/HER3 kinase domain heterodimer containing the cancer-associated HER3-E909G mutation | PDB:4RIY | ||||
| Method | X-ray diffraction | Resolution | 2.98 Å | Mutation | Yes | [11] |
| PDB Sequence |
LVEPLTPSGE
673 APNQALLRIL683 KETEFKKIKV693 LGSGAFGTVY703 KGLWIPEGEK713 VKIPVAIKEL 723 REATSPKANK733 EILDEAYVMA743 SVDNPHVCRL753 LGICLTSTVQ763 LITQLMPFGC 773 LLDYVREHKD783 NIGSQYLLNW793 CVQIAKGMNY803 LEDRRLVHRD813 LAARNVLVKT 823 PQHVKITDFG833 LAKLLGAEEK843 EYHAVPIKWM857 ALESILHRIY867 THQSDVWSYG 877 VTVWELMTFG887 SKPYDGIPAS897 EISSILEKGE907 RLPQPPICTI917 DVYMIMRKCW 927 MIDADSRPKF937 RELIIEFSKM947 ARDPQRYLVI957 QGD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .B:694 or .B:695 or .B:699 or .B:702 or .B:719 or .B:721 or .B:738 or .B:766 or .B:767 or .B:768 or .B:769 or .B:772 or .B:773 or .B:776 or .B:817 or .B:818 or .B:820 or .B:830 or .B:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PD-174265 | Ligand Info | |||||
| Structure Description | EGFR D770_N771insNPG in complex with PD168393 | PDB:4LRM | ||||
| Method | X-ray diffraction | Resolution | 3.53 Å | Mutation | No | [12] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPGNP775 HVCRLLGICL785 TSTVQLITQL795 MPFGCLLDYV 805 REHKDNIGSQ815 YLLNWCVQIA825 KGMNYLEDRR835 LVHRDLAARN845 VLVKTPQHVK 855 ITDFGLAKLL865 GAEEKEYHAE875 GGKVPIKWMA885 LESILHRIYT895 HQSDVWSYGV 905 TVWELMTFGS915 KPYDGIPASE925 ISSILEKGER935 LPQPPICTID945 VYMIMVKCWM 955 IDADSRPKFR965 ELIIEFSKMA975 RDPQRYLVIQ985 GDERMHLPSP995 TDSNFYR |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YUN or .YUN2 or .YUN3 or :3YUN;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:799 or .A:800 or .A:803 or .A:844 or .A:847 or .A:857 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.597
GLY719
3.919
VAL726
3.840
ALA743
3.405
ILE744
4.003
LYS745
3.386
GLU762
3.896
LEU791
3.172
ILE792
4.186
THR793
3.155
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PD-168393 | Ligand Info | |||||
| Structure Description | EGFR L858R in complex with PD168393 | PDB:4LQM | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [12] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LTSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 TQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLLGAEEGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD 916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII 966 EFSKMARDPQ976 RYLVIQGDER986 MHLPSALMDE1004 EDMDDVVDAD1014 EYLIP |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DJK or .DJK2 or .DJK3 or :3DJK;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.783
VAL726
4.505
ALA743
3.184
ILE744
4.858
LYS745
3.554
GLU762
3.392
MET766
4.047
LEU777
4.869
LEU788
3.526
ILE789
4.282
THR790
3.355
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: G6976 | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with Go6976 | PDB:5XGM | ||||
| Method | X-ray diffraction | Resolution | 2.95 Å | Mutation | Yes | [13] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LRSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLK 875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMLPDMDDVV1011 DADEYLIP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .85X or .85X2 or .85X3 or :385X;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:762 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:844; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Crystal structure of the EGFR kinase domain mutant V924R | PDB:5CNO | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [14] |
| PDB Sequence |
NQALLRILKE
685 TEFKKIKVLG695 SGAFGTVYKG705 LWIPEGEKVK715 IPVAIKELRE725 ANKEILDEAY 740 VMASVDNPHV750 CRLLGICLTS760 TVQLITQLMP770 FGCLLDYVRE780 HKDNIGSQYL 790 LNWCVQIAKG800 MNYLEDRRLV810 HRDLAARNVL820 VKTPQHVKIT830 DFGLAKLLGK 851 VPIKWMALES861 ILHRIYTHQS871 DVWSYGVTVW881 ELMTFGSKPY891 DGIPASEISS 901 ILEKGERLPQ911 PPICTIDVYM921 IMRKCWMIDA931 DSRPKFRELI941 IEFSKMARDP 951 QRYLVIQGDE961 RMHLPSPTDS971 NFYRALMDEE981 DMDDVVDADE991 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:694 or .A:695 or .A:696 or .A:697 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702 or .A:719 or .A:721 or .A:766 or .A:767 or .A:768 or .A:769 or .A:772 or .A:773 or .A:776 or .A:813 or .A:817 or .A:818 or .A:820 or .A:830 or .A:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU694
3.654
GLY695
3.450
SER696
3.597
GLY697
3.190
ALA698
2.924
PHE699
4.094
GLY700
3.438
THR701
4.799
VAL702
3.443
ALA719
3.498
LYS721
2.714
THR766
3.736
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Cysteine Sulfenic Acid | Ligand Info | |||||
| Structure Description | 1.85 angstrom structure of EGFR kinase domain with gefitinib | PDB:4WKQ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [15] |
| PDB Sequence |
AMGEAPNQAL
703 LRILKETEFK713 KIKVLGSGTV726 YKGLWIPEGE736 KVKIPVAIKE746 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLITQ791 LMPFGLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGLAKLL 862 GAEEKEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS 912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR 962 ELIIEFSKMA972 RDPQRYLVIQ982 GDMDDVVDAD1014 EYLIPQ
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSX or .CSX2 or .CSX3 or :3CSX;style chemicals stick;color identity;select .A:795 or .A:796 or .A:798 or .A:799 or .A:800 or .A:801 or .A:840 or .A:841 or .A:843 or .A:844 or .A:845; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Alpha-D-Mannose | Ligand Info | |||||
| Structure Description | Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR | PDB:3C09 | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [16] |
| PDB Sequence |
KKVCNGIGIG
319 EFKDSLSINA329 TNIKHFKNCT339 SISGDLHILP349 VAFRGDSFTH359 TPPLDPQELD 369 ILKTVKEITG379 FLLIQAWPEN389 RTDLHAFENL399 EIIRGRTKQH409 GQFSLAVVSL 419 NITSLGLRSL429 KEISDGDVII439 SGNKNLCYAN449 TINWKKLFGT459 SGQKTKIISN 469 RGENSCKATG479 QVCHALCSPE489 GCWGPEPRDC499 V
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MAN or .MAN2 or .MAN3 or :3MAN;style chemicals stick;color identity;select .A:323; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Beta-D-Mannose | Ligand Info | |||||
| Structure Description | Crystal structure the Fab fragment of matuzumab (Fab72000) in complex with domain III of the extracellular region of EGFR | PDB:3C09 | ||||
| Method | X-ray diffraction | Resolution | 3.20 Å | Mutation | No | [16] |
| PDB Sequence |
KKVCNGIGIG
319 EFKDSLSINA329 TNIKHFKNCT339 SISGDLHILP349 VAFRGDSFTH359 TPPLDPQELD 369 ILKTVKEITG379 FLLIQAWPEN389 RTDLHAFENL399 EIIRGRTKQH409 GQFSLAVVSL 419 NITSLGLRSL429 KEISDGDVII439 SGNKNLCYAN449 TINWKKLFGT459 SGQKTKIISN 469 RGENSCKATG479 QVCHALCSPE489 GCWGPEPRDC499 V
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BMA or .BMA2 or .BMA3 or :3BMA;style chemicals stick;color identity;select .A:323; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR LRTM with compound 7 | PDB:8D73 | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [17] |
| PDB Sequence |
LLRILKETEF
712 KKIKVLGSGA722 FGTVYKGLWI732 PEGEKVKIPV742 AIKELREATS752 PKANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGCLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGRAKLL 862 GAEEKEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS 912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMRKCWM952 IDADSRPKFR 962 ELIIEFSKMA972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYRALM1002 DEEDMDDVV |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QCR or .QCR2 or .QCR3 or :3QCR;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR LRTM with compound 24 | PDB:8D76 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [17] |
| PDB Sequence |
LLRILKETEF
712 KKIKVLGSGA722 FGTVYKGLWI732 PEGEKVKIPV742 AIKELREATS752 PKANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGCLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGRAKLL 862 GAEEKEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS 912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMRKCWM952 IDADSRPKFR 962 ELIIEFSKMA972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYRALM1002 DEEDMDDVVD 1012 AD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QFO or .QFO2 or .QFO3 or :3QFO;style chemicals stick;color identity;select .A:716 or .A:718 or .A:719 or .A:723 or .A:726 or .A:728 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:844 or .A:854 or .A:855 or .A:998 or .A:1002 or .A:1006; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS716
3.070
LEU718
3.536
GLY719
4.204
PHE723
3.489
VAL726
2.950
LYS728
2.830
ALA743
3.375
LYS745
2.805
GLU762
3.382
MET766
3.418
CYS775
3.731
MET790
3.252
GLN791
3.064
|
|||||
| Ligand Name: 3-(Furan-2-Yl)-N-[5-(Furan-2-Yl)-2-Methoxyphenyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR tyrosine kinase domain with novel inhibitor of active state of HER2 | PDB:5JEB | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [18] |
| PDB Sequence |
PNQALLRILK
684 ETEFKKIKVL694 GSGAFGTVYK704 GLWIPEGEKV714 KIPVAIKELR724 TSPKANKEIL 736 DEAYVMASVD746 NPHVCRLLGI756 CLTSTVQLIT766 QLMPFGCLLD776 YVREHKDNIG 786 SQYLLNWCVQ796 IAKGMNYLED806 RRLVHRDLAA816 RNVLVKTPQH826 VKITDFGLAK 836 LLGAEEKEYH846 AEGGKVPIKW856 MALESILHRI866 YTHQSDVWSY876 GVTVWELMTF 886 GSKPYDGIPA896 SEISSILEKG906 ERLPQPPICT916 IDVYMIMRKC926 WMIDADSRPK 936 FRELIIEFSK946 MARDPQRYLV956 IQGDERMHLP966 SPTDSNFYR
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6JS or .6JS2 or .6JS3 or :36JS;style chemicals stick;color identity;select .A:694 or .A:702 or .A:719 or .A:720 or .A:721 or .A:738 or .A:742 or .A:751 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:772 or .A:773 or .A:817 or .A:818 or .A:820 or .A:830 or .A:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.864
VAL702
4.103
ALA719
3.490
ILE720
4.753
LYS721
3.463
GLU738
4.239
MET742
3.721
CYS751
4.749
LEU764
3.459
ILE765
4.223
THR766
3.378
|
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| Ligand Name: N-[5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethoxy)phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18b | PDB:6TFV | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [19] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLKV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MRKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGDE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7Q or .N7Q2 or .N7Q3 or :3N7Q;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.620
GLY719
3.596
SER720
3.683
GLY721
4.938
PHE723
3.738
VAL726
3.666
ALA743
3.262
ILE744
4.457
LYS745
3.311
MET766
3.820
CYS775
3.316
ARG776
4.060
LEU777
3.857
LEU788
3.295
|
|||||
| Ligand Name: N-[5-[4-[4-[(1,3-dioxoisoindol-2-yl)methyl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethoxy)phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a | PDB:6TG0 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [19] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMR948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGDE
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N78 or .N782 or .N783 or :3N78;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:726 or .A:743 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.665
GLY719
3.566
SER720
3.535
GLY721
4.613
VAL726
3.634
ALA743
3.249
LYS745
3.630
MET766
3.570
CYS775
3.233
ARG776
3.616
LEU777
3.433
LEU788
3.657
ILE789
4.612
|
|||||
| Ligand Name: N-[2-[2-(dimethylamino)ethoxy]-5-[4-[4-[(1,3-dioxoisoindol-2-yl)methyl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21b | PDB:6TG1 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [19] |
| PDB Sequence |
PNQALLRILK
708 ETEFKKIKVL718 GSGAFGTVYK728 GLWIPEGEKV738 KIPVAIKELR748 EATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MRKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGD
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N82 or .N822 or .N823 or :3N82;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:726 or .A:743 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.782
GLY719
3.971
SER720
3.733
GLY721
4.141
VAL726
3.597
ALA743
3.356
LYS745
3.700
MET766
3.671
CYS775
3.323
ARG776
3.567
LEU777
3.396
LEU788
3.533
ILE789
4.721
|
|||||
| Ligand Name: N-[5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(3-hydroxypropoxy)phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18c | PDB:6TFY | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [19] |
| PDB Sequence |
PNQALLRILK
708 ETEFKKIKVL718 GSGAFGTVYK728 GLWIPEGEKV738 KIPVAIKELR748 EATANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLAKV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MRKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7Z or .N7Z2 or .N7Z3 or :3N7Z;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856 or .A:857 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.642
GLY719
3.742
SER720
3.644
GLY721
4.707
PHE723
3.439
VAL726
3.733
ALA743
3.310
ILE744
4.420
LYS745
2.864
LEU747
4.727
MET766
3.673
LEU788
3.350
ILE789
4.564
MET790
3.471
|
|||||
| Ligand Name: N-[5-[4-[(1-benzylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethoxy)phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 19 | PDB:6TFZ | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [19] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGCLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGLKVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMR948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQ
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7B or .N7B2 or .N7B3 or :3N7B;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.631
GLY719
3.523
SER720
3.534
GLY721
4.767
PHE723
3.798
VAL726
3.665
ALA743
3.221
ILE744
4.875
LYS745
3.409
MET766
3.412
CYS775
3.339
ARG776
3.967
LEU777
3.772
LEU788
3.492
ILE789
4.898
|
|||||
| Ligand Name: (2r)-2-(1-Oxo-1,3-Dihydro-2h-Isoindol-2-Yl)-2-Phenyl-N-(1,3-Thiazol-2-Yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001 | PDB:7A2A | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [20] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMR948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .57N or .57N2 or .57N3 or :357N;style chemicals stick;color identity;select .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:759 or .A:762 or .A:763 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:854 or .A:855 or .A:856 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/V948R in Complex with Spebrutinib and EAI001 | PDB:7A2A | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [20] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMR948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7G9 or .7G92 or .7G93 or :37G9;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-[4-[4-(3,4-Dichloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/V948R in Complex with Poziotinib | PDB:7A6J | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [21] |
| PDB Sequence |
PNQALLRILK
708 ETEFKKIKVL718 GSGAFGTVYK728 GLWIPEGEKV738 KIPVAIKELR748 EATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGL 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMRKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R2E or .R2E2 or .R2E3 or :3R2E;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.662
GLY719
4.341
VAL726
3.607
ALA743
2.996
ILE744
4.093
LYS745
3.423
LEU777
4.585
LEU788
3.067
ILE789
3.997
MET790
3.136
GLN791
3.240
|
|||||
| Ligand Name: N-[3-[4-[(1-benzylindazol-5-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 14d | PDB:6TFU | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [19] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEKVKIP741 VAIKELREAT751 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLAKL 861 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7K or .N7K2 or .N7K3 or :3N7K;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:840 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.884
GLY719
4.006
VAL726
3.691
ALA743
3.486
ILE744
4.829
LYS745
3.406
MET766
4.085
CYS775
3.603
ARG776
4.004
LEU777
3.957
LEU788
3.705
MET790
3.452
GLN791
3.499
|
|||||
| Ligand Name: N-[5-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-[2-(dimethylamino)ethoxy]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d | PDB:6TFW | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [19] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 AKANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGCLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGLAKKV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MRKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .N7W or .N7W2 or .N7W3 or :3N7W;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:840 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
4.036
GLY719
3.768
SER720
3.381
GLY721
4.007
VAL726
3.523
ALA743
3.510
ILE744
4.460
LYS745
3.350
MET766
4.642
CYS775
3.568
ARG776
4.168
LEU777
3.980
LEU788
3.233
ILE789
4.575
MET790
3.652
|
|||||
| Ligand Name: Propan-2-yl 2-[4-[2-(dimethylamino)ethyl-methylamino]-2-methoxy-5-(propanoylamino)anilino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/V948R in Complex with TAK-788 | PDB:7A6K | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [21] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSEILDEAY 764 VMASVDNPHV774 CRLLGICLTS784 TVQLIMQLMP794 FGCLLDYVRE804 HKDNIGSQYL 814 LNWCVQIAKG824 MNYLEDRRLV834 HRDLAARNVL844 VKTPQHVKIT854 DFGLAKKVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMR948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R28 or .R282 or .R283 or :3R28;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:775 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.721
GLY719
3.753
PHE723
4.681
VAL726
3.623
ALA743
3.342
ILE744
4.140
LYS745
3.791
CYS775
4.905
LEU788
3.727
ILE789
4.978
MET790
3.888
GLN791
3.634
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[5-[4-chloro-2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/V948R in Complex with LDC8201 | PDB:7A6I | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [21] |
| PDB Sequence |
LLRILKETEF
712 KKIKVLGSGA722 FGTVYKGLWI732 PEGEKVKIPV742 AIKELREATS752 PKANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGCLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGLAKLL 862 GAEEKEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS 912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMRKCWM952 IDADSRPKFR 962 ELIIEFSKMA972 RDPQRYLVIQ982 GD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R1W or .R1W2 or .R1W3 or :3R1W;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:804 or .A:841 or .A:844; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19h | PDB:6S8A | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [22] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 SLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAAA866 AEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDES995 NFYRALMDEE1005 DMDDVVDADE 1015 YLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L0N or .L0N2 or .L0N3 or :3L0N;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:762 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.596
GLY719
4.232
VAL726
3.592
ALA743
3.444
LYS745
3.731
GLU762
4.523
CYS775
4.388
MET790
3.602
GLN791
2.946
LEU792
3.738
|
|||||
| Ligand Name: N-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR-T790M/C797S in Complex with Covalent Pyrrolopyrimidine 19g | PDB:6S89 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [22] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 SLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAAA866 AEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDEF997 YRALMDEEDM1007 DDVVDADEYL 1017
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L0Q or .L0Q2 or .L0Q3 or :3L0Q;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:844; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (2R)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]-1-(2-fluoroacetyl)pyrrolidine-2-carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant (T790M/L858R) with covalent ligand NS-062 | PDB:5Y25 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [23] |
| PDB Sequence |
HAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LTSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMHLPSPTDS995 NFDDVVDADE1015 YL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8LU or .8LU2 or .8LU3 or :38LU;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:841 or .A:844 or .A:854; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.651
VAL726
3.997
ALA743
3.479
ILE744
4.122
LYS745
3.399
GLU762
3.869
LEU788
3.166
ILE789
4.385
MET790
3.418
GLN791
3.329
LEU792
3.628
|
|||||
| Ligand Name: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/V948R) in complex with allosteric inhibitor JBJ-09-063 | PDB:7JXQ | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [24] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLGAEVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT909 FGSKPYDGIP 919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMRK949 CWMIDADSRP959 KFRELIIEFS 969 KMARDPQRYL979 VIQGDERMHL989 PSPTDSNFYR999 ALMDEEDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VNS or .VNS2 or .VNS3 or :3VNS;style chemicals stick;color identity;select .D:726 or .D:743 or .D:744 or .D:745 or .D:747 or .D:749 or .D:751 or .D:755 or .D:758 or .D:759 or .D:762 or .D:763 or .D:766 or .D:775 or .D:776 or .D:777 or .D:788 or .D:789 or .D:790 or .D:854 or .D:855 or .D:856 or .D:857 or .D:858 or .D:860 or .D:861 or .D:864; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL726
3.840
ALA743
3.471
ILE744
3.641
LYS745
3.313
LEU747
3.538
GLU749
4.304
THR751
4.232
ALA755
4.290
GLU758
4.347
ILE759
3.709
GLU762
3.809
ALA763
4.106
MET766
3.312
CYS775
3.514
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-9-propan-2-yl-purine-2,8-diamine | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(3) | PDB:5X2A | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [25] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMRKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYRALM1002 DEEDMVV
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7XO or .7XO2 or .7XO3 or :37XO;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:841 or .A:844 or .A:854 or .A:855 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.736
GLY719
4.377
VAL726
3.719
ALA743
3.460
ILE744
4.592
LYS745
3.306
LEU788
4.209
MET790
3.125
GLN791
3.708
LEU792
3.722
MET793
2.642
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(5) | PDB:5X2C | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [25] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLKVPIKWM881 ALESILHRIY891 THQSDVWSYG901 VTVWELMTFG911 SKPYDGIPAS 921 EISSILEKGE931 RLPQPPICTI941 DVYMIMRKCW951 MIDADSRPKF961 RELIIEFSKM 971 ARDPQRYLVI981 QGDERMHLPS991 PTDSNFYRAL1001 MDEEDMDDVV1011 DADE |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7XR or .7XR2 or .7XR3 or :37XR;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.716
GLY719
4.074
VAL726
3.415
ALA743
3.660
ILE744
4.511
LYS745
3.442
LEU788
3.966
MET790
3.345
GLN791
3.440
LEU792
3.707
MET793
2.710
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-{2-[4-({3-Chloro-4-[3-(Trifluoromethyl)phenoxy]phenyl}amino)-5h-Pyrrolo[3,2-D]pyrimidin-5-Yl]ethyl}-4-(Dimethylamino)butanamide | Ligand Info | |||||
| Structure Description | EGFR Kinase domain T790M/L858R mutant with compound 2 | PDB:3W2P | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [26] |
| PDB Sequence |
HAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDER986 MHLPSDMDDV1010 VDADEYLI |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W2P or .W2P2 or .W2P3 or :3W2P;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:759 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.587
GLY719
4.953
PHE723
4.267
VAL726
3.712
ALA743
3.402
ILE744
4.085
LYS745
3.454
LEU747
4.013
ILE759
3.603
GLU762
3.410
MET766
3.896
LEU788
3.197
|
|||||
| Ligand Name: (1r)-1-{6-({2-[(3r,4s)-3-Fluoro-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}amino)-1-[(2s)-1,1,1-Trifluoropropan-2-Yl]-1h-Imidazo[4,5-C]pyridin-2-Yl}ethanol | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 41a | PDB:5CAS | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [27] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYMDDV1010 VDADEYLIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZQ or .4ZQ2 or .4ZQ3 or :34ZQ;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:800 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.434
GLY719
3.259
PHE723
4.147
VAL726
3.350
ALA743
3.164
LYS745
3.001
GLU762
3.420
MET766
3.541
CYS775
3.666
MET790
3.395
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/V948R) in complex with osimertinib and JBJ-04-125-02 | PDB:7JXP | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | Yes | [28] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMRKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYRALMD1003 EEDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JBJ or .JBJ2 or .JBJ3 or :3JBJ;style chemicals stick;color identity;select .D:726 or .D:743 or .D:744 or .D:745 or .D:747 or .D:751 or .D:755 or .D:758 or .D:759 or .D:762 or .D:763 or .D:766 or .D:775 or .D:776 or .D:777 or .D:788 or .D:789 or .D:790 or .D:854 or .D:855 or .D:856 or .D:857 or .D:858 or .D:861; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL726
3.688
ALA743
3.369
ILE744
3.504
LYS745
3.158
LEU747
3.300
THR751
4.385
ALA755
3.961
GLU758
3.356
ILE759
3.414
GLU762
3.331
ALA763
4.568
MET766
3.540
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/V948R) in complex with osimertinib and EAI045 | PDB:7JXM | ||||
| Method | X-ray diffraction | Resolution | 2.19 Å | Mutation | Yes | [28] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MRKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGDER986 MHLPSPTDSN996 FYRALMDEED1006 M
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9LL or .9LL2 or .9LL3 or :39LL;style chemicals stick;color identity;select .D:726 or .D:743 or .D:744 or .D:745 or .D:747 or .D:759 or .D:762 or .D:763 or .D:766 or .D:775 or .D:776 or .D:777 or .D:788 or .D:789 or .D:790 or .D:854 or .D:855 or .D:856 or .D:857 or .D:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL726
3.438
ALA743
3.263
ILE744
3.534
LYS745
3.237
LEU747
4.470
ILE759
3.395
GLU762
4.167
ALA763
3.819
MET766
3.928
CYS775
3.336
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 9-cyclohexyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M/V948R in complex with SKLB(6) | PDB:5X2F | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [25] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLKVPIKWM881 ALESILHRIY891 THQSDVWSYG901 VTVWELMTFG911 SKPYDGIPAS 921 EISSILEKGE931 RLPQPPICTI941 DVYMIMRKCW951 MIDADSRPKF961 RELIIEFSKM 971 ARDPQRYLVI981 QGDERMHLPS991 PTDSNFYRAL1001 MDEEDMVVDA1013 D |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7XU or .7XU2 or .7XU3 or :37XU;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.917
GLY719
3.844
SER720
4.729
VAL726
3.903
ALA743
3.474
ILE744
4.593
LYS745
3.537
LEU788
4.150
MET790
3.345
GLN791
3.297
LEU792
3.345
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(4-{[3-Chloro-4-(Pyridin-2-Ylmethoxy)phenyl]amino}-3-Cyano-7-Ethoxyquinolin-6-Yl)-4-(Dimethylamino)butanamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain T790M/L858R mutant with HKI-272 | PDB:3W2Q | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [26] |
| PDB Sequence |
HAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDER986 MHLPSPMDDV1010 VDADEYL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HKI or .HKI2 or .HKI3 or :3HKI;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:759 or .A:762 or .A:763 or .A:766 or .A:777 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.719
VAL726
4.136
ALA743
3.443
ILE744
4.209
LYS745
3.043
ILE759
3.172
GLU762
3.433
ALA763
3.716
MET766
3.593
LEU777
4.474
LEU788
3.640
MET790
3.156
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (1r)-1-{6-({2-[(3s,4r)-3-Fluoro-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}amino)-1-[(2s)-1,1,1-Trifluoropropan-2-Yl]-1h-Imidazo[4,5-C]pyridin-2-Yl}ethanol | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 41b | PDB:5CAU | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [27] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYMDDVV1011 DADEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZR or .4ZR2 or .4ZR3 or :34ZR;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:800 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.474
GLY719
3.294
PHE723
4.121
VAL726
3.308
ALA743
3.159
LYS745
2.809
GLU762
3.344
MET766
3.525
CYS775
3.569
MET790
3.548
|
|||||
| Ligand Name: (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide | Ligand Info | |||||
| Structure Description | EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor | PDB:7LTX | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [29] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMHLPSPTDS995 NFYRALMDEE1005 DM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YFA or .YFA2 or .YFA3 or :3YFA;style chemicals stick;color identity;select .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:751 or .A:755 or .A:758 or .A:759 or .A:762 or .A:763 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:854 or .A:855 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE723
4.461
VAL726
3.841
ALA743
3.386
ILE744
3.658
LYS745
3.288
LEU747
3.749
THR751
4.967
ALA755
3.664
GLU758
3.689
ILE759
3.431
GLU762
3.651
|
|||||
| Ligand Name: (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one | Ligand Info | |||||
| Structure Description | Active conformation of EGFR kinase in complex with BI-4020 | PDB:7KXZ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [30] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 TQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLGAEEKEY869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT 909 FGSKPYDGIP919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP 959 KFRELIIEFS969 KMARDPQRYL979 VIQGDERMMD1008 DVVDADEYL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .XA4 or .XA42 or .XA43 or :3XA4;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.714
GLY719
4.633
PHE723
3.555
VAL726
3.575
ALA743
3.590
LYS745
3.007
GLU762
4.274
MET766
4.867
CYS775
3.286
THR790
2.974
GLN791
3.218
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-Methyl-N-[2-(2-Methyl-2-Methylsulfonyl-Propoxy)pyrimidin-4-Yl]-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 30 | PDB:5CAP | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [27] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAKVPIKWM881 ALESILHRIY891 THQSDVWSYG901 VTVWELMTFG911 SKPYDGIPAS 921 EISSILEKGE931 RLPQPPICTI941 DVYMIMVKCW951 MIDADSRPKF961 RELIIEFSKM 971 ARDPQRYLVI981 QGDERMHLPS991 PTDSNFYRAD1006 MDDVVDADEY1016 LIP |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZH or .4ZH2 or .4ZH3 or :34ZH;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.399
GLY719
4.111
PHE723
3.646
VAL726
3.242
ALA743
3.208
LYS745
2.765
GLU762
3.400
MET766
4.022
CYS775
3.722
MET790
3.470
|
|||||
| Ligand Name: N-(5-((4-(1H-indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/V948R) in complex with AZ5104 | PDB:7JXL | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [28] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMHLPSPTDS995 NFYRALMDEE1005 DM
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VO7 or .VO72 or .VO73 or :3VO7;style chemicals stick;color identity;select .D:718 or .D:719 or .D:720 or .D:721 or .D:726 or .D:743 or .D:745 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:795 or .D:796 or .D:797 or .D:800 or .D:804 or .D:841 or .D:844 or .D:854 or .D:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.325
GLY719
3.727
SER720
3.669
GLY721
4.598
VAL726
3.349
ALA743
3.319
LYS745
4.314
MET790
3.928
GLN791
3.360
LEU792
3.787
MET793
3.087
|
|||||
| Ligand Name: N-{2-[4-(2-Aminoethyl)-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}-2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 23 | PDB:5C8N | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [27] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELTSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYDMDD1009 VVDADEYLIP1019 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YX or .4YX2 or .4YX3 or :34YX;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.671
GLY719
4.695
PHE723
3.470
VAL726
3.777
ALA743
3.250
LYS745
3.029
GLU762
3.966
MET766
3.421
CYS775
3.675
MET790
3.442
|
|||||
| Ligand Name: 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane | Ligand Info | |||||
| Structure Description | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | PDB:7VRA | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | Yes | [31] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGSLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF910 GSKPYDGIPA 920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMVKC950 WMIDADSRPK960 FRELIIEFSK 970 MARDPQRYLV980 IQGDEEDMDD1009 VVDADEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .I0A or .I0A2 or .I0A3 or :3I0A;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.432
GLY719
3.277
SER720
3.866
PHE723
3.228
VAL726
3.679
ALA743
3.396
LYS745
2.856
GLU762
4.758
CYS775
4.202
MET790
3.574
GLN791
3.202
LEU792
3.836
|
|||||
| Ligand Name: 6-[[2-(1-Cyclopropylsulfonylpyrazol-4-Yl)pyrimidin-4-Yl]amino]-~{n}-(Oxan-4-Yl)-1-Propan-2-Yl-Pyrrolo[3,2-C]pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with 3-carboxamide azaindole compound 13 | PDB:5HCY | ||||
| Method | X-ray diffraction | Resolution | 2.46 Å | Mutation | Yes | [32] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELATSPKANK 757 EILDEAYVMA767 SVDNPHVCRL777 LGICLTSTVQ787 LIMQLMPFGC797 LLDYVREHKD 807 NIGSQYLLNW817 CVQIAKGMNY827 LEDRRLVHRD837 LAARNVLVKT847 PQHVKITDFG 857 RAKLLVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF910 GSKPYDGIPA 920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMVKC950 WMIDADSRPK960 FRELIIEFSK 970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYDM1007 DDVVDADEYL1017 IP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .60D or .60D2 or .60D3 or :360D;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.597
GLY719
4.033
PHE723
3.149
VAL726
3.638
ALA743
3.101
LYS745
3.040
GLU762
3.952
MET766
3.524
CYS775
3.613
MET790
3.440
GLN791
2.949
|
|||||
| Ligand Name: 1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Pyrrolo[3,2-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 8 | PDB:4RJ8 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [33] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGRAK 860 LVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP914 YDGIPASEIS 924 SILEKGERLP934 QPPICTIDVY944 MIMVKCWMID954 ADSRPKFREL964 IIEFSKMARD 974 PQRYLVIQGD984 ERMHLPSPTD994 SNFYEDMDDV1010 VDADEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3QS or .3QS2 or .3QS3 or :33QS;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 33 | PDB:5CAQ | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [27] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYEEDM1007 DDVVDADEYL1017 I |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZJ or .4ZJ2 or .4ZJ3 or :34ZJ;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Egfr-IN-69 | Ligand Info | |||||
| Structure Description | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | PDB:7VRE | ||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | Yes | [31] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELRSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGSL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGL 858 AKLLGAAAKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD 916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII 966 EFSKMARDPQ976 RYLVIQGDER986 MHLPSPTDSN996 FYRALMDEED1006 MDDVVDADEY 1016 LI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7VH or .7VH2 or .7VH3 or :37VH;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:728 or .A:743 or .A:745 or .A:762 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855 or .A:1001; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.539
GLY719
3.673
PHE723
4.164
VAL726
3.691
LYS728
4.752
ALA743
3.373
LYS745
3.026
GLU762
4.847
CYS775
4.167
MET790
3.915
GLN791
3.137
LEU792
3.689
MET793
2.807
|
|||||
| Ligand Name: 2,6-Dichloro-N-{2-[(2-{[(2s)-1-Hydroxypropan-2-Yl]amino}-6-Methylpyrimidin-4-Yl)amino]pyridin-4-Yl}benzamide | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 1 | PDB:4RJ7 | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | Yes | [33] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGRAKL 861 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMHLPSPTDS995 NFDMDDVVDA1013 DEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3R1 or .3R12 or .3R13 or :33R1;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5H-furo[3,4-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | PDB:5EDR | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [34] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP914 YDGIPASEIS 924 SILEKGERLP934 QPPICTIDVY944 MIMVKCWMID954 ADSRPKFREL964 IIEFSKMARD 974 PQRYLVIQGD984 ERMHLPSPTD994 SNFYEEDMDD1009 VVDADEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5N4 or .5N42 or .5N43 or :35N4;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:844; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)pyrimidin-4-yl)-1-isopropyl-2-methyl-1H-imidazo[4,5-c]pyridin-6-amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with azabenzimidazole compound 7 | PDB:5HCX | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [32] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELTSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFDMDDV1010 VDADEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .60B or .60B2 or .60B3 or :360B;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.670
GLY719
4.165
PHE723
3.059
VAL726
3.691
ALA743
3.233
LYS745
2.994
GLU762
3.875
MET766
3.609
CYS775
3.635
MET790
3.384
GLN791
2.971
|
|||||
| Ligand Name: N-{2-[1-(Cyclopropylsulfonyl)-1h-Pyrazol-4-Yl]pyrimidin-4-Yl}-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with a imidazopyridinyl-aminopyrimidine inhibitor | PDB:5HIC | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [35] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYEEDM1007 DDVVDADEYL1017 IP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .63N or .63N2 or .63N3 or :363N;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.638
GLY719
4.157
PHE723
3.131
VAL726
3.431
ALA743
3.151
LYS745
2.994
GLU762
3.953
MET766
3.535
CYS775
3.573
MET790
3.463
GLN791
2.952
|
|||||
| Ligand Name: N~2~-[2-Methyl-2-(Methylsulfonyl)propyl]-N~4~-[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]pyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 29 | PDB:5CAO | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [27] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LTSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY915 DGIPASEISS 925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI965 IEFSKMARDP 975 QRYLVIQGDE985 RMHLPSPTDS995 NFYREEDMDD1009 VVDADEYLIP1019 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZG or .4ZG2 or .4ZG3 or :34ZG;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.401
GLY719
3.923
PHE723
3.849
VAL726
4.110
ALA743
3.222
LYS745
2.960
GLU762
4.855
MET766
3.617
CYS775
3.695
MET790
3.530
GLN791
3.061
|
|||||
| Ligand Name: 2-[1-[1-[(2~{s})-Butan-2-Yl]-6-[[2-(1-Cyclopropylsulfonylpyrazol-4-Yl)pyrimidin-4-Yl]amino]pyrazolo[4,3-C]pyridin-3-Yl]azetidin-3-Yl]propan-2-Ol | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with 3-azetidinyl azaindazole compound 21 | PDB:5HCZ | ||||
| Method | X-ray diffraction | Resolution | 2.62 Å | Mutation | Yes | [32] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELTSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYDMDD1009 VVDADEYLIP1019 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .60E or .60E2 or .60E3 or :360E;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.506
GLY719
4.179
PHE723
3.172
VAL726
3.404
ALA743
3.231
LYS745
3.168
GLU762
3.931
MET766
3.524
CYS775
3.652
MET790
3.337
GLN791
2.970
|
|||||
| Ligand Name: 4-[2-(4-Chlorophenyl)ethylamino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with pyridone compound 2: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | PDB:5EM5 | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | Yes | [36] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGRAV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGDER986 MHLPSPTDSN996 FYEEDMDDVV1011 DADEYLIP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Q2 or .5Q22 or .5Q23 or :35Q2;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:804 or .A:844 or .A:854; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 5-chloranyl-N2-[3-chloranyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-N4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40 | PDB:7ER2 | ||||
| Method | X-ray diffraction | Resolution | 2.66 Å | Mutation | Yes | [37] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGSLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLHAEGGKVP877 IKWMALESIL887 HRIYTHQSDV897 WSYGVTVWEL907 MTFGSKPYDG 917 IPASEISSIL927 EKGERLPQPP937 ICTIDVYMIM947 VKCWMIDADS957 RPKFRELIIE 967 FSKMARDPQR977 YLVIQGDERD1006 MDDVVDADEY1016 LI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JAU or .JAU2 or .JAU3 or :3JAU;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.706
GLY719
3.960
PHE723
3.807
VAL726
3.669
ALA743
3.388
LYS745
3.444
MET790
3.418
GLN791
3.383
LEU792
3.584
MET793
2.544
PRO794
3.551
|
|||||
| Ligand Name: 2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 24 | PDB:5CAL | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [27] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYEEDMD1008 DVVDADEYLI1018 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4Z8 or .4Z82 or .4Z83 or :34Z8;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.665
GLY719
4.534
PHE723
3.675
VAL726
3.862
ALA743
3.213
LYS745
3.436
GLU762
4.764
MET766
4.921
CYS775
3.934
MET790
3.483
GLN791
3.168
|
|||||
| Ligand Name: N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 4 | PDB:4RJ6 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [33] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGRAK 860 LVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP914 YDGIPASEIS 924 SILEKGERLP934 QPPICTIDVY944 MIMVKCWMID954 ADSRPKFREL964 IIEFSKMARD 974 PQRYLVIQGD984 ERMHLPSPTD994 SNFYDMDDVV1011 DADEYLI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3R0 or .3R02 or .3R03 or :33R0;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:844 or .A:854 or .A:855 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-[(2-Azanylpyrimidin-4-Yl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with pyridone compound 19: 4-[(2-azanylpyrimidin-4-yl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | PDB:5EM6 | ||||
| Method | X-ray diffraction | Resolution | 2.78 Å | Mutation | Yes | [36] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LTSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYEEDMD1008 DVVDADEYLI1018 P |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Q3 or .5Q32 or .5Q33 or :35Q3;style chemicals stick;color identity;select .A:718 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:804 or .A:844 or .A:854 or .A:855 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.441
PHE723
4.802
VAL726
4.005
ALA743
3.321
LYS745
3.184
GLU762
2.789
MET766
3.454
CYS775
3.647
LEU788
4.726
MET790
3.611
GLN791
2.726
|
|||||
| Ligand Name: N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1-(Propan-2-Yl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 6 | PDB:4RJ4 | ||||
| Method | X-ray diffraction | Resolution | 2.78 Å | Mutation | Yes | [33] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYEDMDD1009 VVDADEYLI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3QW or .3QW2 or .3QW3 or :33QW;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3r)-3-Methyl-1-(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)pyrrolidine-3-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 27 | PDB:5CAN | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [27] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELATSPKANK 757 EILDEAYVMA767 SVDNPHVCRL777 LGICLTSTVQ787 LIMQLMPFGC797 LLDYVREHKD 807 NIGSQYLLNW817 CVQIAKGMNY827 LEDRRLVHRD837 LAARNVLVKT847 PQHVKITDFG 857 RAKLVPIKWM881 ALESILHRIY891 THQSDVWSYG901 VTVWELMTFG911 SKPYDGIPAS 921 EISSILEKGE931 RLPQPPICTI941 DVYMIMVKCW951 MIDADSRPKF961 RELIIEFSKM 971 ARDPQRYLVI981 QGDERMHLPS991 PTDSNFYDMD1008 DVVDADEYLI1018 P |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4ZB or .4ZB2 or .4ZB3 or :34ZB;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.696
GLY719
4.265
PHE723
4.491
VAL726
3.985
ALA743
3.199
LYS745
3.450
GLU762
4.387
MET766
3.624
CYS775
3.717
MET790
3.404
GLN791
2.973
|
|||||
| Ligand Name: 4-[(2-Methoxyphenyl)amino]-~{n}-[4-(4-Methylpiperazin-1-Yl)phenyl]-2-Oxidanylidene-1~{h}-Pyridine-3-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain with pyridone compound 13: 4-[(2-methoxyphenyl)amino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide | PDB:5EM8 | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [36] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 EATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 ITQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGL 858 AKLLGAKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMVKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 DMDDVVDADE1015 YLI |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5Q4 or .5Q42 or .5Q43 or :35Q4;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:804 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-(2-chloranyl-3-fluoranyl-phenyl)-5-methyl-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[(3S)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one | Ligand Info | |||||
| Structure Description | The structure of co-crystals of 8r-B-EGFR WT complex | PDB:6JRK | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [38] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELNKEILDEA 763 YVMASVDNPH773 VCRLLGICLT783 STVQLITQLM793 PFGCLLDYVR803 EHKDNIGSQY 813 LLNWCVQIAK823 GMNYLEDRRL833 VHRDLAARNV843 LVKTPQHVKI853 TDFGLAKVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGDERME1005 DMDDVVDADE1015 YLI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C6O or .C6O2 or .C6O3 or :3C6O;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:775 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:841 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.709
GLY719
3.547
VAL726
4.044
ALA743
3.693
ILE744
4.728
LYS745
3.498
GLU762
3.447
MET766
3.270
CYS775
3.961
LEU788
3.315
THR790
2.879
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(3-(2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-8(7H)-yl)phenyl)acrylamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with XTF-262 | PDB:5GMP | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [39] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGLAKLLGAV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD 916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII 966 EFSKMARDPQ976 RYLVIQGDER986 MHLPRALMDE1004 EDMDDVVDAD1014 EYLIP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F62 or .F622 or .F623 or :3F62;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:728 or .A:743 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:1002; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-(7-chloro-1H-indazol-3-yl)-7,7-dimethyl-2-(1H-pyrazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 15: ~{N}-(7-chloranyl-1~{H}-indazol-3-yl)-7,7-dimethyl-2-(1~{H}-pyrazol-4-yl)-5~{H}-furo[3,4-d]pyrimidin-4-amine | PDB:5EDQ | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [34] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFDMDDV1010 VDADEYLI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5N3 or .5N32 or .5N33 or :35N3;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:797 or .A:844 or .A:854; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-Tert-Butyl-5-{[(1-Methyl-1h-Pyrazol-5-Yl)sulfonyl]amino}pyrazolo[1,5-A]pyrimidine-3-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with a pyrazolopyrimidine inhibitor | PDB:5HIB | ||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | Yes | [35] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGRAKLLEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMVKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LDMDDVVDAD 1014 EYLI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .63M or .63M2 or .63M3 or :363M;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Methyl-N-{2-[4-(Methylsulfonyl)piperidin-1-Yl]pyrimidin-4-Yl}-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 17 | PDB:5C8M | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [27] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKLVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYEEDM1007 DDVVDADEYL1017 IP |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YW or .4YW2 or .4YW3 or :34YW;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)acrylamide | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR 696-1022 T790M Mutant Covalently Binding to WZ4002 | PDB:3IKA | ||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | Yes | [40] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGLAKLLGAE865 EKEYHAEGGK875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW 905 ELMTFGSKPY915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA 955 DSRPKFRELI965 IEFSKMARDP975 QRYLVIQGDE985 RMHEEDMDDV1010 VDADEYLIPQ 1020
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0UN or .0UN2 or .0UN3 or :30UN;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:728 or .A:743 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor | PDB:7LG8 | ||||
| Method | X-ray diffraction | Resolution | 2.93 Å | Mutation | Yes | [41] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELREAT751 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLAKV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MRKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGDEN996 FYRALMDEED1006
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8RC or .8RC2 or .8RC3 or :38RC;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:804 or .A:841 or .A:844 or .A:854 or .A:855 or .A:1002 or .A:1003; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LEU718
3.412
GLY719
4.007
VAL726
4.108
ALA743
3.598
LYS745
4.465
MET790
3.342
GLN791
3.228
LEU792
3.207
MET793
2.877
PRO794
3.802
PHE795
4.180
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Imidazo[4,5-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase domain mutant "TMLR" with compound 1 | PDB:5C8K | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [27] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGR 858 AKVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYEEDMD1008 DVVDADEYLI1018 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4YV or .4YV2 or .4YV3 or :34YV;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[4-({[(2,6-Dichloro-3,5-Dimethoxyphenyl)carbamoyl](6-{[4-(4-Methylpiperazin-1-Yl)phenyl]amino}pyrimidin-4-Yl)amino}methyl)phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3 | PDB:4R5S | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [42] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLITQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GRAKLLGAEE866 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMVKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985 RMHLPEDMDD1009 VVDADEYLI
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FI3 or .FI32 or .FI33 or :3FI3;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:759 or .A:762 or .A:766 or .A:775 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.865
VAL726
3.968
ALA743
3.177
ILE744
4.970
LYS745
3.501
ILE759
4.399
GLU762
3.069
MET766
3.892
CYS775
4.924
LEU788
3.122
THR790
3.713
GLN791
3.132
|
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| Ligand Name: N-[5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-(4-ethylpiperazin-1-yl)-4-methoxyphenyl]prop-2-enamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with JTS-1-39 | PDB:5GTZ | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [43] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAEE866 KKVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK 913 PYDGIPASEI923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE 963 LIIEFSKMAR973 DPQRYLVIQG983 DERMHLPSPT993 DSNFYRALMD1003 EEDMDDVVDA 1013 DEYLIPQ
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .81C or .81C2 or .81C3 or :381C;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:728 or .A:743 or .A:745 or .A:762 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.338
GLY719
4.084
VAL726
3.559
LYS728
4.715
ALA743
3.408
LYS745
3.227
GLU762
3.524
MET790
3.778
GLN791
3.535
LEU792
3.646
MET793
2.861
|
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| Ligand Name: N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine | Ligand Info | |||||
| Structure Description | EGFR kinase (T790M/L858R) with inhibitor compound 5 | PDB:4RJ5 | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [33] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGRAV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGDER986 MHLPSPTDSN996 FYDMDDVVDA1013 DEYLIP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3QY or .3QY2 or .3QY3 or :33QY;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 1-[(3R)-3-[4-amino-3-[3-chloro-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26 | PDB:5GTY | ||||
| Method | X-ray diffraction | Resolution | 3.14 Å | Mutation | Yes | [44] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 KANKEILDEA 763 YVMASVDNPH773 VCRLLGICLT783 STVQLIMQLM793 PFGCLLDYVR803 EHKDNIGSQY 813 LLNWCVQIAK823 GMNYLEDRRL833 VHRDLAARNV843 LVKTPQHVKI853 TDFGLAKLLG 863 KVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP914 YDGIPASEIS 924 SILEKGERLP934 QPPICTIDVY944 MIMVKCWMID954 ADSRPKFREL964 IIEFSKMARD 974 PQRYLVIQGD984 ERMHLPSPTD994 SNFYRALMDE1004 EDMDDVVDAD1014 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .816 or .8162 or .8163 or :3816;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.751
GLY719
3.293
SER720
3.884
VAL726
3.288
ALA743
2.673
ILE744
3.732
LYS745
3.531
MET766
4.516
CYS775
4.328
ARG776
3.108
LEU777
3.428
LEU788
3.203
ILE789
4.310
|
|||||
| Ligand Name: N-[2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-1022 T790M in complex with QL-X138 | PDB:4WD5 | ||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [45] |
| PDB Sequence |
PSGEAPNQAL
703 LRILKETEFK713 KIKVLGSGAF723 GTVYKGLWIP733 EGEKVKIPVA743 IKELREATSP 753 KANKEILDEA763 YVMASVDNPH773 VCRLLGICLT783 STVQLIMQLM793 PFGCLLDYVR 803 EHKDNIGSQY813 LLNWCVQIAK823 GMNYLEDRRL833 VHRDLAARNV843 LVKTPQHVKI 853 TDFGLAKLLG863 AEEKEYHAEG873 GKVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT 903 VWELMTFGSK913 PYDGIPASEI923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI 953 DADSRPKFRE963 LIIEFSKMAR973 DPQRYLVIQG983 DERMDVVDAD1014 EYLIPQQ |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .3LH or .3LH2 or .3LH3 or :33LH;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-{[4-(1-Benzothiophen-4-Yloxy)-3-Chlorophenyl]amino}-N-(2-Hydroxyethyl)-8,9-Dihydro-7h-Pyrimido[4,5-B]azepine-6-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain complexed with compound 19b | PDB:3W33 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [46] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELRKA755 NKEILDEAYV 765 MASVDNPHVC775 RLLGICLTST785 VQLITQLMPF795 GCLLDYVREH805 KDNIGSQYLL 815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD855 FGLAKLLKVP 877 IKWMALESIL887 HRIYTHQSDV897 WSYGVTVWEL907 MTFGSKPYDG917 IPASEISSIL 927 EKGERLPQPP937 ICTIDVYMIM947 VKCWMIDADS957 RPKFRELIIE967 FSKMARDPQR 977 YLVIQGDERM987 HLPSPTDSNF997 YRALMDDDVV1011 DADEYLI
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W19 or .W192 or .W193 or :3W19;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858 or .A:997 or .A:1001; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.983
GLY719
3.765
SER720
4.001
VAL726
3.729
ALA743
3.413
ILE744
4.376
LYS745
3.616
MET766
4.078
CYS775
3.351
ARG776
3.689
LEU777
3.705
LEU788
3.203
ILE789
4.094
|
|||||
| Ligand Name: 4-({3-Chloro-4-[3-(Trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(Methylsulfonyl)ethyl]-8,9-Dihydro-7h-Pyrimido[4,5-B]azepine-6-Carboxamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain complexed with compound 20a | PDB:3W32 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [46] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIT790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMVKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV 1010 VDADEYL
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W32 or .W322 or .W323 or :3W32;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:844 or .A:853 or .A:854 or .A:855 or .A:856 or .A:858 or .A:997 or .A:1001; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.917
GLY719
3.816
SER720
3.466
VAL726
3.796
ALA743
3.332
ILE744
4.525
LYS745
3.615
MET766
3.557
CYS775
3.193
ARG776
3.458
LEU777
3.230
LEU788
3.298
ILE789
4.366
THR790
3.438
|
|||||
| Ligand Name: 1-{3-[2-Chloro-4-({5-[2-(2-Hydroxyethoxy)ethyl]-5h-Pyrrolo[3,2-D]pyrimidin-4-Yl}amino)phenoxy]phenyl}-3-Cyclohexylurea | Ligand Info | |||||
| Structure Description | EGFR kinase domain with compound4 | PDB:3W2S | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [26] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIT790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS912 KPYDGIPASE 922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR962 ELIIEFSKMA 972 RDPQRYLVIQ982 GDERMHLPSP992 TDSNFYRALM1002 DEEDMDDVVD1012 ADEYLIP |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .W2R or .W2R2 or .W2R3 or :3W2R;style chemicals stick;color identity;select .A:718 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:766 or .A:775 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855 or .A:856 or .A:857 or .A:858 or .A:859 or .A:862; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
4.007
PHE723
3.784
VAL726
3.740
ALA743
3.416
ILE744
4.103
LYS745
2.818
LEU747
3.904
MET766
3.586
CYS775
4.208
LEU777
4.461
LEU788
3.092
ILE789
4.011
THR790
3.420
GLN791
3.475
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Thiophosphoric acid o-((adenosyl-phospho)phospho)-s-acetamidyl-diester | Ligand Info | |||||
| Structure Description | Crystal Structure of the active EGFR kinase domain in complex with an ATP analog-peptide conjugate | PDB:2GS6 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [47] |
| PDB Sequence |
GAMGEAPNQA
678 LLRILKETEF688 KKIKVLGSGA698 FGTVYKGLWI708 PEGEKVKIPV718 AIKELTSPKA 731 NKEILDEAYV741 MASVDNPHVC751 RLLGICLTST761 VQLITQLMPF771 GCLLDYVREH 781 KDNIGSQYLL791 NWCVQIAKGM801 NYLEDRRLVH811 RDLAARNVLV821 KTPQHVKITD 831 FGLAKLLGAE841 EKEYHAEGGK851 VPIKWMALES861 ILHRIYTHQS871 DVWSYGVTVW 881 ELMTFGSKPY891 DGIPASEISS901 ILEKGERLPQ911 PPICTIDVYM921 IMVKCWMIDA 931 DSRPKFRELI941 IEFSKMARDP951 QRYLVIQGDE961 RMHLPSEDMD984 DVVDADEYLI 994 P
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .112 or .1122 or .1123 or :3112;style chemicals stick;color identity;select .A:694 or .A:698 or .A:699 or .A:702 or .A:719 or .A:721 or .A:766 or .A:767 or .A:768 or .A:769 or .A:772 or .A:773 or .A:776 or .A:813 or .A:817 or .A:818 or .A:820 or .A:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: N-{4-[(3-Chloro-4-Fluorophenyl)amino]-7-[(3s)-Tetrahydrofuran-3-Yloxy]quinazolin-6-Yl}-4-(Dimethylamino)butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase in complex with BIBW2992 | PDB:4G5J | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [5] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSTVYKG729 LWIPEGEKVK739 IPVAIKEKEI759 LDEAYVMASV 769 DNPHVCRLLG779 ICLTSTVQLI789 TQLMPFGCLL799 DYVREHKDNI809 GSQYLLNWCV 819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA859 KLLGAEEKEY 869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT909 FGSKPYDGIP 919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP959 KFRELIIEFS 969 KMARDPQRYL979 VIQGDERMHL989 PSPTDSNFYR999 ALMDEEDMDD1009 VVDADEY |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0WN or .0WN2 or .0WN3 or :30WN;style chemicals stick;color identity;select .A:718 or .A:726 or .A:728 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.841
VAL726
4.473
LYS728
3.186
ALA743
2.981
ILE744
4.828
LYS745
3.484
GLU762
3.269
MET766
3.083
LEU788
3.714
ILE789
4.579
THR790
3.188
GLN791
3.738
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]pyrrolidin-3-yl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | PDB:5UG9 | ||||
| Method | X-ray diffraction | Resolution | 1.33 Å | Mutation | Yes | [48] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELRPKA755 NKEILDEAYV 765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH805 KDNIGSQYLL 815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD855 FGRAKLLGAE 865 EKEYHAEGGK875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8AM or .8AM2 or .8AM3 or :38AM;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:728 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.468
GLY719
3.188
SER720
3.603
PHE723
3.921
VAL726
3.791
LYS728
4.569
ALA743
3.365
LYS745
4.500
CYS775
3.823
MET790
3.756
GLN791
3.163
LEU792
3.789
|
|||||
| Ligand Name: Bound form of N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | Ligand Info | |||||
| Structure Description | EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide | PDB:5HG8 | ||||
| Method | X-ray diffraction | Resolution | 1.42 Å | Mutation | Yes | [49] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLLGAEEKEY869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT 909 FGSKPYDGIP919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMRK949 CWMIDADSRP 959 KFRELIIEFS969 KMARDPQRYL979 VIQGDERMHL989 PSPTDSNFYR999 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .634 or .6342 or .6343 or :3634;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.440
GLY719
3.885
VAL726
3.728
ALA743
3.430
LYS745
4.802
CYS775
3.724
MET790
3.830
GLN791
2.794
LEU792
3.863
MET793
2.725
|
|||||
| Ligand Name: N-[(3R,4R)-4-fluoro-1-[6-[(1-methylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]pyrrolidin-3-yl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | PDB:5UG8 | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | Yes | [48] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELRPKA755 NKEILDEAYV 765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH805 KDNIGSQYLL 815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD855 FGRAKLLGAE 865 EKEYHAEGGK875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8BP or .8BP2 or .8BP3 or :38BP;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.533
GLY719
3.181
SER720
3.530
PHE723
3.591
VAL726
3.881
ALA743
3.358
LYS745
4.415
CYS775
3.861
MET790
3.887
GLN791
3.163
LEU792
3.895
|
|||||
| Ligand Name: N-[3-[[2-[4-(4-methylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]propanamide | Ligand Info | |||||
| Structure Description | EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | PDB:5HG5 | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | Yes | [49] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLLGAEEKEY869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT 909 FGSKPYDGIP919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMRK949 CWMIDADSRP 959 KFRELIIEFS969 KMARDPQRYL979 VIQGDERMHL989 PSPTDSNFYR999 AL |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .633 or .6332 or .6333 or :3633;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:804 or .A:841 or .A:844 or .A:854 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.489
GLY719
4.008
VAL726
3.339
ALA743
3.406
LYS745
4.827
CYS775
3.757
MET790
3.741
GLN791
2.822
LEU792
3.701
MET793
2.737
PRO794
3.384
|
|||||
| Ligand Name: N-[(3R,4R)-4-fluoro-1-[6-[(3-methoxy-1-methylpyrazol-4-yl)amino]-9-methylpurin-2-yl]pyrrolidin-3-yl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | PDB:5UGC | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | Yes | [48] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELRPKA755 NKEILDEAYV 765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH805 KDNIGSQYLL 815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD855 FGRAKLLGAE 865 EKEYHAEGGK875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8BS or .8BS2 or .8BS3 or :38BS;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:728 or .A:743 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.495
GLY719
3.186
SER720
3.879
PHE723
3.817
VAL726
3.730
LYS728
4.571
ALA743
3.321
CYS775
3.993
MET790
3.784
GLN791
3.117
LEU792
3.712
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[(4-{4-[(3-Cyclopropyl-1h-Pyrazol-5-Yl)amino]-6-[(Prop-2-Yn-1-Yl)carbamoyl]pyrimidin-2-Yl}piperazin-1-Yl)methyl]benzene-1-Sulfonyl Fluoride | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain in complex with a sulfonyl fluoride probe XO44 | PDB:5U8L | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [50] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELREAT751 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGRAKL 861 LGAEEKEYHA871 EGGKVPIKWM881 ALESILHRIY891 THQSDVWSYG901 VTVWELMTFG 911 SKPYDGIPAS921 EISSILEKGE931 RLPQPPICTI941 DVYMIMRKCW951 MIDADSRPKF 961 RELIIEFSKM971 ARDPQRYLVI981 QGDERMHLP
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O44 or .O442 or .O443 or :3O44;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:722 or .A:723 or .A:724 or .A:725 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:844 or .A:854 or .A:856 or .A:857; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.342
GLY719
3.797
SER720
3.423
GLY721
3.139
ALA722
3.252
PHE723
2.766
GLY724
2.893
THR725
4.967
VAL726
3.775
ALA743
3.305
LYS745
1.794
CYS775
3.984
|
|||||
| Ligand Name: 4-(4-{[2-{[(3s)-1-Acetylpyrrolidin-3-Yl]amino}-9-(Propan-2-Yl)-9h-Purin-6-Yl]amino}phenyl)-1-Methylpiperazin-1-Ium | Ligand Info | |||||
| Structure Description | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | PDB:5UGA | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [48] |
| PDB Sequence |
LLRILKETEF
712 KKIKVLGSGA722 FGTVYKGLWI732 PEGEKVKIPV742 AIKELREATS752 PKANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGCLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGRAKLL 862 GAEEKEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS 912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMRKCWM952 IDADSRPKFR 962 ELIIEFSKMA972 RDPQRYLVIQ982 GDE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8BM or .8BM2 or .8BM3 or :38BM;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:804 or .A:841 or .A:842 or .A:844 or .A:854 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.579
GLY719
3.695
SER720
3.688
PHE723
3.729
VAL726
3.357
ALA743
3.366
LYS745
4.043
CYS775
3.821
MET790
3.990
GLN791
3.125
LEU792
3.893
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Bound form of PF-06459988; 1-{(3R,4R)-3-[({5-chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one | Ligand Info | |||||
| Structure Description | EGFR (L858R, T790M, V948R) in complex with 1-{(3R,4R)-3-[5-Chloro-2-(1-methyl-1H-pyrazol-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxymethyl]-4-methoxy-pyrrolidin-1-yl}propenone (PF-06459988) | PDB:5HG7 | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [49] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELRSPK754 ANKEILDEAY 764 VMASVDNPHV774 CRLLGICLTS784 TVQLIMQLMP794 FGCLLDYVRE804 HKDNIGSQYL 814 LNWCVQIAKG824 MNYLEDRRLV834 HRDLAARNVL844 VKTPQHVKIT854 DFGRAKLLGA 864 EEKEYHAEGG874 KVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP 914 YDGIPASEIS924 SILEKGERLP934 QPPICTIDVY944 MIMRKCWMID954 ADSRPKFREL 964 IIEFSKMARD974 PQRYLVIQGD984
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .630 or .6302 or .6303 or :3630;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.454
GLY719
3.771
SER720
3.987
PHE723
3.625
VAL726
3.701
ALA743
3.406
LYS745
4.768
CYS775
3.775
MET790
3.615
GLN791
2.782
LEU792
3.798
|
|||||
| Ligand Name: Olidin-1-yl]propan-1-one | Ligand Info | |||||
| Structure Description | EGFR (L858R, T790M, V948R) in complex with 1-[(3R,4R)-3-[({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-(trifluoromethyl)pyrrolidin-1-yl]prop-2-en-1-one | PDB:5HG9 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [49] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELRPKA755 NKEILDEAYV 765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH805 KDNIGSQYLL 815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD855 FGRAKLLGAE 865 EKEYHAEGGK875 VPIKWMALES885 ILHRIYTHQS895 DVWSYGVTVW905 ELMTFGSKPY 915 DGIPASEISS925 ILEKGERLPQ935 PPICTIDVYM945 IMRKCWMIDA955 DSRPKFRELI 965 IEFSKMARDP975 QRYLVIQGDE985
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .63A or .63A2 or .63A3 or :363A;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.589
GLY719
3.470
SER720
3.361
PHE723
3.239
VAL726
3.572
ALA743
3.454
CYS775
3.896
MET790
3.991
GLN791
2.978
LEU792
3.956
MET793
2.684
|
|||||
| Ligand Name: N-[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]-7-(4-methylpiperazin-1-yl)-5-propan-2-yl-9-[2,2,2-tris(fluoranyl)ethoxy]pyrido[4,3-b]indol-3-amine | Ligand Info | |||||
| Structure Description | Crystal Structure of EGFR(L858R/T790M/C797S) in complex with CH7233163 | PDB:6LUB | ||||
| Method | X-ray diffraction | Resolution | 2.31 Å | Mutation | Yes | [7] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGTVYK728 GLWIPEGEKV738 KIPVAIKETS752 PKANKEILDE 762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLIMQL792 MPFGSLLDYV802 REHKDNIGSQ 812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK852 ITDFGRAKLL 862 GAAAAEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV902 TVWELMTFGS 912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM952 IDADSRPKFR 962 ELIIEFSKMA972 RDPQRYLVIQ982 GDERMHLPDM1007 DDVVDADEYL1017 I |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EUX or .EUX2 or .EUX3 or :3EUX;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:728 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.216
GLY719
4.929
VAL726
3.976
LYS728
3.554
ALA743
3.419
LYS745
3.177
GLU762
4.212
MET766
4.658
CYS775
3.543
MET790
3.361
GLN791
2.981
LEU792
3.431
|
|||||
| Ligand Name: 5-chloranyl-~{N}2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxy-5-(1-methylpyrazol-4-yl)phenyl]-~{N}4-(2-dimethylphosphorylphenyl)pyrimidine-2,4-diamine | Ligand Info | |||||
| Structure Description | Studies Towards a Reversible EGFR C797S Triple Mutant Inhibitor Series | PDB:7AEI | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [2] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 ITQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGL 858 AKLLGAEEKE868 YHAEGGKVPI878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM 908 TFGSKPYDGI918 PASEISSILE928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR 958 PKFRELIIEF968 SKMARDPQRY978 LVIQGDERMH988 LPNFYRALMD1003 EEDMDDVVDA 1013 DEYLI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .R85 or .R852 or .R853 or :3R85;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:725 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:804 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.656
GLY719
3.599
PHE723
3.590
THR725
4.581
VAL726
3.562
ALA743
3.405
LYS745
3.720
THR790
3.450
GLN791
3.528
LEU792
3.755
MET793
2.848
|
|||||
| Ligand Name: 8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one | Ligand Info | |||||
| Structure Description | EGFR-KINASE IN COMPLEX WITH COMPOUND 6 | PDB:6S9D | ||||
| Method | X-ray diffraction | Resolution | 2.67 Å | Mutation | Yes | [51] |
| PDB Sequence |
SMGEAPNQAL
703 LRILKETEFK713 KIKVLGSGAF723 GTVYKGLWIP733 EGEKVKIPVA743 IKELRTSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGRAKLLGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD 916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII 966 EFSKMARDPQ976 RYLVIQGDER986 MHLPSPTDDM1007 DDVVDADEYL1017 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L3Z or .L3Z2 or .L3Z3 or :3L3Z;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.704
GLY719
4.624
PHE723
3.694
VAL726
3.878
ALA743
3.545
LYS745
3.673
GLU762
3.451
MET766
4.975
CYS775
4.076
MET790
3.320
GLN791
3.421
|
|||||
| Ligand Name: N-[1-(2-hydroxy-2-methylpropyl)benzimidazol-2-yl]-2-phenylpyridine-4-carboxamide | Ligand Info | |||||
| Structure Description | EGFR-KINASE IN COMPLEX WITH COMPOUND 5 | PDB:6S9C | ||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | Yes | [51] |
| PDB Sequence |
SMGEAPNQAL
703 LRILKETEFK713 KIKVLGSGAF723 GTVYKGLWIP733 EGEKVKIPVA743 IKELRTSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGRAKLLKVP877 IKWMALESIL887 HRIYTHQSDV897 WSYGVTVWEL907 MTFGSKPYDG 917 IPASEISSIL927 EKGERLPQPP937 ICTIDVYMIM947 VKCWMIDADS957 RPKFRELIIE 967 FSKMARDPQR977 YLVIQGDERM987 HLPSPEEDMD1008 DVVDADEYLI1018 P |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L1K or .L1K2 or .L1K3 or :3L1K;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.375
GLY719
3.825
PHE723
3.329
VAL726
4.338
ALA743
3.591
LYS745
4.020
GLU762
3.518
MET766
4.962
CYS775
4.336
MET790
3.239
GLN791
3.236
|
|||||
| Ligand Name: N-[3-[[2-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain (L858R, T790M, V948R) in complex with the covalent inhibitor CO-1686 | PDB:5UWD | ||||
| Method | X-ray diffraction | Resolution | 3.06 Å | Mutation | Yes | [52] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELREAT751 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGRAKL 861 LKVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK913 PYDGIPASEI 923 SSILEKGERL933 PQPPICTIDV943 YMIMRKCWMI953 DADSRPKFRE963 LIIEFSKMAR 973 DPQRYLVIQG983 D
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8OV or .8OV2 or .8OV3 or :38OV;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:728 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:856; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.058
GLY719
4.469
VAL726
3.736
LYS728
4.320
ALA743
3.422
LYS745
3.323
CYS775
3.857
MET790
2.956
GLN791
3.306
LEU792
3.693
MET793
2.656
|
|||||
| Ligand Name: N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with LN3844 | PDB:6WXN | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | Yes | [53] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPEGEKVKIP741 VAIKELREAK754 ANKEILDEAY 764 VMASVDNPHV774 CRLLGICLTS784 TVQLIMQLMP794 FGCLLDYVRE804 HKDNIGSQYL 814 LNWCVQIAKG824 MNYLEDRRLV834 HRDLAARNVL844 VKTPQHVKIT854 DFGLAKLLVP 877 IKWMALESIL887 HRIYTHQSDV897 WSYGVTVWEL907 MTFGSKPYDG917 IPASEISSIL 927 EKGERLPQPP937 ICTIDVYMIM947 RKCWMIDADS957 RPKFRELIIE967 FSKMARDPQR 977 YLVIQGDERM987 HLPSPTDSNF997 YRALMDEEVD1012 AD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UEJ or .UEJ2 or .UEJ3 or :3UEJ;style chemicals stick;color identity;select .D:718 or .D:726 or .D:743 or .D:744 or .D:745 or .D:747 or .D:759 or .D:762 or .D:763 or .D:766 or .D:775 or .D:776 or .D:777 or .D:780 or .D:788 or .D:789 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:795 or .D:796 or .D:841 or .D:842 or .D:844 or .D:854 or .D:855 or .D:856 or .D:857 or .D:858 or .D:861; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.748
VAL726
3.352
ALA743
3.282
ILE744
4.164
LYS745
3.037
LEU747
4.306
ILE759
3.290
GLU762
3.104
ALA763
3.636
MET766
3.266
CYS775
3.440
ARG776
3.370
LEU777
3.209
ILE780
4.185
LEU788
3.294
ILE789
4.554
|
|||||
| Ligand Name: 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | PDB:6XL4 | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [41] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP914 YDGIPASEIS 924 SILEKGERLP934 QPPICTIDVY944 MIMRKCWMID954 ADSRPKFREL964 IIEFSKMARD 974 PQRYLVIQGD984 ERMHLPSPTD994 SNFYRALMDE1004 EDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQ1 or .NQ12 or .NQ13 or :3NQ1;style chemicals stick;color identity;select .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:763 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:854 or .A:855 or .A:856 or .A:857 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | PDB:6XL4 | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | Yes | [41] |
| PDB Sequence |
NQALLRILKE
709 TEFKKIKVLG719 SGAFGTVYKG729 LWIPEGEKVK739 IPVAIKELRE749 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP914 YDGIPASEIS 924 SILEKGERLP934 QPPICTIDVY944 MIMRKCWMID954 ADSRPKFREL964 IIEFSKMARD 974 PQRYLVIQGD984 ERMHLPSPTD994 SNFYRALMDE1004 EDM
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Q6K or .Q6K2 or .Q6K3 or :3Q6K;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:804 or .A:841 or .A:844 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.347
GLY719
3.948
PHE723
3.812
VAL726
3.530
ALA743
3.492
LYS745
4.908
MET790
3.492
GLN791
3.135
LEU792
3.606
MET793
2.633
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-[4-(4-fluorophenyl)-2-(3-methoxypropyl)-1H-imidazol-5-yl]-2-phenyl-3H-pyrrolo[2,3-b]pyridine | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with LN2725 | PDB:6V5P | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [54] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV 1010 VDAD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QP4 or .QP42 or .QP43 or :3QP4;style chemicals stick;color identity;select .A:718 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.271
SER720
4.941
VAL726
3.525
ALA743
3.380
ILE744
3.876
LYS745
2.794
LEU777
3.815
LEU788
2.943
ILE789
3.299
MET790
3.615
GLN791
3.210
LEU792
3.593
|
|||||
| Ligand Name: 3-(4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl)propan-1-ol | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with LN2084 | PDB:6V5N | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [54] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMD |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QP7 or .QP72 or .QP73 or :3QP7;style chemicals stick;color identity;select .D:718 or .D:726 or .D:743 or .D:744 or .D:745 or .D:777 or .D:788 or .D:789 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:795 or .D:796 or .D:841 or .D:842 or .D:844 or .D:854 or .D:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.636
VAL726
3.172
ALA743
3.322
ILE744
4.192
LYS745
3.632
LEU777
3.635
LEU788
2.974
ILE789
3.517
MET790
3.189
GLN791
3.077
|
|||||
| Ligand Name: N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR(T790M/V948R) in complex with LN3753 | PDB:6WA2 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [53] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV 1010 VDAD
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TOV or .TOV2 or .TOV3 or :3TOV;style chemicals stick;color identity;select .D:718 or .D:726 or .D:743 or .D:744 or .D:745 or .D:766 or .D:775 or .D:776 or .D:777 or .D:788 or .D:789 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:795 or .D:796 or .D:797 or .D:841 or .D:842 or .D:844 or .D:854 or .D:855 or .D:856 or .D:857 or .D:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.544
VAL726
3.453
ALA743
3.388
ILE744
3.950
LYS745
2.836
MET766
3.400
CYS775
3.427
ARG776
3.237
LEU777
3.035
LEU788
3.627
ILE789
4.443
MET790
3.566
GLN791
3.310
LEU792
3.826
|
|||||
| Ligand Name: N-(3-{[5-Chloro-4-(1h-Indol-3-Yl)pyrimidin-2-Yl]amino}-4-Methoxyphenyl)propanamide | Ligand Info | |||||
| Structure Description | EGFR-K IN COMPLEX WITH N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxy-phenyl] Prop-2-enamide | PDB:4LI5 | ||||
| Method | X-ray diffraction | Resolution | 2.64 Å | Mutation | No | [55] |
| PDB Sequence |
GSMGEAPNQA
702 LLRILKETEF712 KKIKVLGSGA722 FGTVYKGLWI732 PEGEKVKIPV742 AIKELREATS 752 PKANKEILDE762 AYVMASVDNP772 HVCRLLGICL782 TSTVQLITQL792 MPFGCLLDYV 802 REHKDNIGSQ812 YLLNWCVQIA822 KGMNYLEDRR832 LVHRDLAARN842 VLVKTPQHVK 852 ITDFGLAKLL862 GAEEKEYHAE872 GGKVPIKWMA882 LESILHRIYT892 HQSDVWSYGV 902 TVWELMTFGS912 KPYDGIPASE922 ISSILEKGER932 LPQPPICTID942 VYMIMVKCWM 952 IDADSRPKFR962 ELIIEFSKMA972 RDPQRYLVIQ982 GDEDDVVDAD1014 EYLIPQ |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1WY or .1WY2 or .1WY3 or :31WY;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:723 or .A:726 or .A:743 or .A:745 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[7-methyl-1-[(3R)-1-propanoylazepan-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain in complex with a covalent aminobenzimidazole inhibitor. | PDB:5FED | ||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [56] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGTVYKG729 LWIPEGEKVK739 IPVAIKESPK754 ANKEILDEAY 764 VMASVDNPHV774 CRLLGICLTS784 TVQLITQLMP794 FGCLLDYVRE804 HKDNIGSQYL 814 LNWCVQIAKG824 MNYLEDRRLV834 HRDLAARNVL844 VKTPQHVKIT854 DFGLAKLLKE 868 YHAEGGKVPI878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI 918 PASEISSILE928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR958 PKFRELIIEF 968 SKMARDPQRY978 LVIQGDEMDD1009 VVDADEYL
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5X4 or .5X42 or .5X43 or :35X4;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:745 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[3-(4-{[(1s)-2-Hydroxy-1-Phenylethyl]amino}-6-Phenylfuro[2,3-D]pyrimidin-5-Yl)phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain in complex with compound 3g | PDB:4JR3 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [57] |
| PDB Sequence |
GEAPNQALLR
681 ILKETEFKKI691 KVLGSGAFGT701 VYKGLWIPEG711 EKVKIPVAIK721 ELREATSPKA 731 NKEILDEAYV741 MASVDNPHVC751 RLLGICLTST761 VQLITQLMPF771 GCLLDYVREH 781 KDNIGSQYLL791 NWCVQIAKGM801 NYLEDRRLVH811 RDLAARNVLV821 KTPQHVKITD 831 FGLAKLLGAE841 EKEYHAEGGK851 VPIKWMALES861 ILHRIYTHQS871 DVWSYGVTVW 881 ELMTFGSKPY891 DGIPASEISS901 ILEKGERLPQ911 PPICTIDVYM921 IMVKCWMIDA 931 DSRPKFRELI941 IEFSKMARDP951 QRYLVIQGDD982 MDDVVDADEY992 LIP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJR or .KJR2 or .KJR3 or :3KJR;style chemicals stick;color identity;select .A:694 or .A:695 or .A:699 or .A:702 or .A:719 or .A:720 or .A:721 or .A:738 or .A:742 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:771 or .A:772 or .A:773 or .A:817 or .A:818 or .A:820 or .A:830 or .A:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.637
GLY695
4.246
PHE699
4.229
VAL702
3.778
ALA719
3.362
ILE720
4.450
LYS721
3.390
GLU738
4.042
MET742
3.940
LEU764
3.766
ILE765
4.948
THR766
3.330
|
|||||
| Ligand Name: (2s)-2-[(5,6-Diphenylfuro[2,3-D]pyrimidin-4-Yl)amino]-2-Phenylethanol | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain in complex with compound 2a | PDB:4JQ7 | ||||
| Method | X-ray diffraction | Resolution | 2.73 Å | Mutation | No | [57] |
| PDB Sequence |
GEAPNQALLR
681 ILKETEFKKI691 KVLGSGAFGT701 VYKGLWIPEG711 EKVKIPVAIK721 ELREATSPKA 731 NKEILDEAYV741 MASVDNPHVC751 RLLGICLTST761 VQLITQLMPF771 GCLLDYVREH 781 KDNIGSQYLL791 NWCVQIAKGM801 NYLEDRRLVH811 RDLAARNVLV821 KTPQHVKITD 831 FGLAKLLGAE841 EKEYHAEGGK851 VPIKWMALES861 ILHRIYTHQS871 DVWSYGVTVW 881 ELMTFGSKPY891 DGIPASEISS901 ILEKGERLPQ911 PPICTIDVYM921 IMVKCWMIDA 931 DSRPKFRELI941 IEFSKMARDP951 QRYLVIQGDD982 MDDVVDADEY992 LIP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJQ or .KJQ2 or .KJQ3 or :3KJQ;style chemicals stick;color identity;select .A:694 or .A:695 or .A:699 or .A:702 or .A:719 or .A:720 or .A:721 or .A:738 or .A:742 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:771 or .A:772 or .A:773 or .A:820 or .A:830 or .A:831; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.710
GLY695
4.063
PHE699
4.114
VAL702
3.647
ALA719
3.387
ILE720
4.399
LYS721
3.317
GLU738
3.983
MET742
3.890
LEU764
3.691
ILE765
4.579
|
|||||
| Ligand Name: 4-(Dimethylamino)-N-[3-(4-{[(1s)-2-Hydroxy-1-Phenylethyl]amino}-6-Phenylfuro[2,3-D]pyrimidin-5-Yl)phenyl]butanamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain in complex with compound 4c | PDB:4JRV | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [57] |
| PDB Sequence |
GEAPNQALLR
681 ILKETEFKKI691 KVLGSGAFGT701 VYKGLWIPEG711 EKVKIPVAIK721 ELTSPKANKE 734 ILDEAYVMAS744 VDNPHVCRLL754 GICLTSTVQL764 ITQLMPFGCL774 LDYVREHKDN 784 IGSQYLLNWC794 VQIAKGMNYL804 EDRRLVHRDL814 AARNVLVKTP824 QHVKITDFGL 834 AKLLGAEEKE844 YHAEGGKVPI854 KWMALESILH864 RIYTHQSDVW874 SYGVTVWELM 884 TFGSKPYDGI894 PASEISSILE904 KGERLPQPPI914 CTIDVYMIMV924 KCWMIDADSR 934 PKFRELIIEF944 SKMARDPQRY954 LVIQGDDMDD985 VVDADEYLIP995 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJV or .KJV2 or .KJV3 or :3KJV;style chemicals stick;color identity;select .A:694 or .A:695 or .A:699 or .A:702 or .A:719 or .A:720 or .A:721 or .A:738 or .A:742 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:771 or .A:772 or .A:773 or .A:813 or .A:817 or .A:818 or .A:820 or .A:830 or .A:831; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.453
GLY695
4.416
PHE699
3.921
VAL702
3.503
ALA719
3.646
ILE720
4.580
LYS721
3.818
GLU738
4.003
MET742
3.851
LEU764
3.867
ILE765
4.629
THR766
3.276
GLN767
3.394
|
|||||
| Ligand Name: N-[3-(4-{[(1s)-2-Hydroxy-1-Phenylethyl]amino}-6-Phenylfuro[2,3-D]pyrimidin-5-Yl)phenyl]-N~3~,N~3~-Dimethyl-Beta-Alaninamide | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain in complex with compound 4b | PDB:4JQ8 | ||||
| Method | X-ray diffraction | Resolution | 2.83 Å | Mutation | No | [57] |
| PDB Sequence |
GEAPNQALLR
681 ILKETEFKKI691 KVLGSGAFGT701 VYKGLWIPEG711 EKVKIPVAIK721 ELREATSPKA 731 NKEILDEAYV741 MASVDNPHVC751 RLLGICLTST761 VQLITQLMPF771 GCLLDYVREH 781 KDNIGSQYLL791 NWCVQIAKGM801 NYLEDRRLVH811 RDLAARNVLV821 KTPQHVKITD 831 FGLAKLLGAE841 EKEYHAEGGK851 VPIKWMALES861 ILHRIYTHQS871 DVWSYGVTVW 881 ELMTFGSKPY891 DGIPASEISS901 ILEKGERLPQ911 PPICTIDVYM921 IMVKCWMIDA 931 DSRPKFRELI941 IEFSKMARDP951 QRYLVIQGDD982 MDDVVDADEY992 LIP |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KJ8 or .KJ82 or .KJ83 or :3KJ8;style chemicals stick;color identity;select .A:694 or .A:695 or .A:699 or .A:702 or .A:719 or .A:720 or .A:721 or .A:738 or .A:742 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:771 or .A:772 or .A:773 or .A:813 or .A:817 or .A:818 or .A:820 or .A:830 or .A:831; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.796
GLY695
4.429
PHE699
3.365
VAL702
3.613
ALA719
3.546
ILE720
4.200
LYS721
3.475
GLU738
4.649
MET742
3.982
LEU764
3.785
ILE765
4.668
THR766
3.386
GLN767
3.253
|
|||||
| Ligand Name: N-[1-[(3R)-1-[(2E)-4-(Dimethylamino)-1-oxo-2-buten-1-yl]hexahydro-1H-azepin-3-yl]-7-methyl-1H-benzimidazol-2-yl]-2-methyl-4-pyridinecarboxamide | Ligand Info | |||||
| Structure Description | EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE | PDB:5FEQ | ||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | Yes | [56] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 SPKANKEILD 761 EAYVMASVDN771 PHVCRLLGIC781 LTSTVQLIMQ791 LMPFGCLLDY801 VREHKDNIGS 811 QYLLNWCVQI821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLAKL 861 LGAEYHAGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD 916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII 966 EFSKMARDPQ976 RYLVIQGDEM1007 DDVVDADEYL1017
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5XH or .5XH2 or .5XH3 or :35XH;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:766 or .A:775 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.509
GLY719
4.793
PHE723
3.697
VAL726
3.857
ALA743
3.279
LYS745
4.960
MET766
4.102
CYS775
3.973
MET790
3.368
GLN791
3.287
LEU792
3.709
|
|||||
| Ligand Name: N-[3-[[4-[5-(4-fluorophenyl)-2-(2-methoxyethylsulfanyl)-1H-imidazol-4-yl]pyridin-2-yl]amino]-4-methoxyphenyl]propanamide | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with LN2899 | PDB:6V66 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | Yes | [54] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV 1010 VDAD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QP1 or .QP12 or .QP13 or :3QP1;style chemicals stick;color identity;select .D:718 or .D:719 or .D:720 or .D:721 or .D:724 or .D:726 or .D:728 or .D:743 or .D:744 or .D:745 or .D:777 or .D:788 or .D:789 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:796 or .D:797 or .D:800 or .D:841 or .D:842 or .D:844 or .D:854 or .D:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.616
GLY719
3.780
SER720
3.771
GLY721
4.039
GLY724
4.900
VAL726
3.277
LYS728
4.933
ALA743
3.438
ILE744
4.199
LYS745
3.016
LEU777
3.858
LEU788
3.059
ILE789
3.654
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 10-benzyl-2-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one | Ligand Info | |||||
| Structure Description | EGFR in complex with a dihydrodibenzodiazepinone allosteric inhibitor. | PDB:6P8Q | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [58] |
| PDB Sequence |
PNQALLRILK
708 ETEFKKIKVL718 GSGAFGTVYK728 GLWIPEGEKV738 KIPVAIKELR748 EATSPKANKE 758 ILDEAYVMAS768 VDNPHVCRLL778 GICLTSTVQL788 IMQLMPFGCL798 LDYVREHKDN 808 IGSQYLLNWC818 VQIAKGMNYL828 EDRRLVHRDL838 AARNVLVKTP848 QHVKITDFGL 858 AKLLGVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF910 GSKPYDGIPA 920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK960 FRELIIEFSK 970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV1010 VDADEYLIP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .O57 or .O572 or .O573 or :3O57;style chemicals stick;color identity;select .A:726 or .A:743 or .A:744 or .A:745 or .A:759 or .A:762 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:854 or .A:855 or .A:856 or .A:857 or .A:858 or .A:861; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-[[4-[5-(4-fluorophenyl)-2-(3-hydroxypropyl)-1H-imidazol-4-yl]pyridin-2-yl]amino]-4-methoxyphenyl]propanamide | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with LN2380 | PDB:6V6O | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [54] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV 1010 VDAD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QQM or .QQM2 or .QQM3 or :3QQM;style chemicals stick;color identity;select .D:718 or .D:720 or .D:721 or .D:726 or .D:743 or .D:744 or .D:745 or .D:777 or .D:788 or .D:789 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:796 or .D:797 or .D:800 or .D:841 or .D:842 or .D:844 or .D:854 or .D:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.547
SER720
4.020
GLY721
4.331
VAL726
3.639
ALA743
3.374
ILE744
3.970
LYS745
2.920
LEU777
3.900
LEU788
2.993
ILE789
3.263
MET790
3.276
GLN791
3.235
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide | Ligand Info | |||||
| Structure Description | EGFR(T790M/V948R) in complex with LN2057 | PDB:6V6K | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [54] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIM790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK 860 LLGAEEKEYH870 AEGGKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF 910 GSKPYDGIPA920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK 960 FRELIIEFSK970 MARDPQRYLV980 IQGDERMHLP990 SPTDSNFYRA1000 LMDEEDMDDV 1010 VDAD
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QQJ or .QQJ2 or .QQJ3 or :3QQJ;style chemicals stick;color identity;select .D:718 or .D:726 or .D:743 or .D:744 or .D:745 or .D:777 or .D:788 or .D:789 or .D:790 or .D:791 or .D:792 or .D:793 or .D:794 or .D:795 or .D:796 or .D:797 or .D:798 or .D:799 or .D:800 or .D:841 or .D:842 or .D:844 or .D:854 or .D:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.214
VAL726
3.408
ALA743
3.379
ILE744
4.118
LYS745
3.000
LEU777
3.896
LEU788
2.990
ILE789
3.200
MET790
3.205
GLN791
3.166
LEU792
3.769
MET793
2.978
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (4-fluorophenyl)methyl N-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-N-[3-(propanoylamino)phenyl]carbamate | Ligand Info | |||||
| Structure Description | Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor | PDB:6D8E | ||||
| Method | X-ray diffraction | Resolution | 2.54 Å | Mutation | No | [59] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELRPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 TQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGLA 859 KLLGAEYHAE872 KVPIKWMALE884 SILHRIYTHQ894 SDVWSYGVTV904 WELMTFGSKP 914 YDGIPASEIS924 SILEKGERLP934 QPPICTIDVY944 MIMVKCWMID954 ADSRPKFREL 964 IIEFSKMARD974 PQRYLVIQGD984 MHLPSLMDEE1005 DMDDVVDADE1015 YLIP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FZP or .FZP2 or .FZP3 or :3FZP;style chemicals stick;color identity;select .A:718 or .A:719 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:798 or .A:799 or .A:800 or .A:840 or .A:841 or .A:844 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.628
GLY719
4.933
VAL726
3.870
ALA743
3.575
ILE744
4.495
LYS745
3.462
GLU762
3.985
MET766
3.459
LEU777
3.372
LEU788
3.044
ILE789
3.367
THR790
3.274
GLN791
3.682
|
|||||
| Ligand Name: 1,2,3,4-Tetrahydrogen Staurosporine | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941 | PDB:2ITQ | ||||
| Method | X-ray diffraction | Resolution | 2.68 Å | Mutation | Yes | [9] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLSSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLITQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDMD1008 DVVDADEYLI1018 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ITQ or .ITQ2 or .ITQ3 or :3ITQ;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.864
SER719
3.834
PHE723
4.079
VAL726
3.986
ALA743
3.297
LYS745
3.467
GLU762
3.749
MET766
4.014
CYS775
4.476
LEU788
4.477
THR790
2.953
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[3-(5-{2-[(4-Morpholin-4-Ylphenyl)amino]pyrimidin-4-Yl}imidazo[2,1-B][1,3]thiazol-6-Yl)phenyl]-2-Phenylacetamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain complexed with an imidazo[2,1-b]thiazole inhibitor | PDB:3LZB | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [60] |
| PDB Sequence |
LLRILKETEF
688 KKIKVLGSGA698 FGTVYKGLWI708 PEGEKVKIPV718 AIKELREATS728 PKANKEILDE 738 AYVMASVDNP748 HVCRLLGICL758 TSTVQLITQL768 MPFGCLLDYV778 REHKDNIGSQ 788 YLLNWCVQIA798 KGMNYLEDRR808 LVHRDLAARN818 VLVKTPQHVK828 ITDFGLKVPI 854 KWMALESILH864 RIYTHQSDVW874 SYGVTVWELM884 TFGSKPYDGI894 PASEISSILE 904 KGERLPQPPI914 CTIDVYMIMR924 KCWMIDADSR934 PKFRELIIEF944 SKMARDPQRY 954 LVIQG
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ITI or .ITI2 or .ITI3 or :3ITI;style chemicals stick;color identity;select .A:694 or .A:695 or .A:702 or .A:719 or .A:720 or .A:721 or .A:742 or .A:751 or .A:752 or .A:753 or .A:764 or .A:765 or .A:766 or .A:767 or .A:768 or .A:769 or .A:770 or .A:771 or .A:772 or .A:773 or .A:776 or .A:780 or .A:817 or .A:820 or .A:830 or .A:831 or .A:832 or .A:834; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU694
3.082
GLY695
4.776
VAL702
3.562
ALA719
2.934
ILE720
4.334
LYS721
2.689
MET742
3.473
CYS751
3.565
ARG752
4.022
LEU753
3.048
LEU764
3.700
ILE765
4.228
THR766
3.003
GLN767
3.316
|
|||||
| Ligand Name: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain in complex with 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-1-oxo-4-(trifluoromethyl)isoindolin-2-yl]-N-thiazol-2-yl-acetamide | PDB:8A27 | ||||
| Method | X-ray diffraction | Resolution | 1.07 Å | Mutation | No | [61] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIT790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAV 876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE906 LMTFGSKPYD916 GIPASEISSI 926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD956 SRPKFRELII966 EFSKMARDPQ 976 RYLVIQGDE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KY9 or .KY92 or .KY93 or :3KY9;style chemicals stick;color identity;select .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:749 or .A:751 or .A:755 or .A:759 or .A:760 or .A:762 or .A:763 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:854 or .A:855 or .A:856 or .A:857 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL726
4.088
ALA743
3.450
ILE744
4.105
LYS745
2.858
LEU747
3.677
GLU749
3.738
THR751
3.827
ALA755
4.486
ILE759
2.847
LEU760
4.958
GLU762
3.108
ALA763
3.177
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R)-2-[4-[bis(fluoranyl)methyl]-6-[2-[4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)ethanamide | Ligand Info | |||||
| Structure Description | EGFR kinase domain (L858R/V948R) in complex with 2-[4-(difluoromethyl)-6-[2-[4-[[4-(hydroxymethyl)-1-piperidyl]methyl]phenyl]ethynyl]-7-methyl-indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-thiazol-2-yl-acetamide | PDB:8A2D | ||||
| Method | X-ray diffraction | Resolution | 1.11 Å | Mutation | Yes | [61] |
| PDB Sequence |
QALLRILKET
710 EFKKIKVLGS720 GAFGTVYKGL730 WIPEGEKVKI740 PVAIKELREA750 TSPKANKEIL 760 DEAYVMASVD770 NPHVCRLLGI780 CLTSTVQLIT790 QLMPFGCLLD800 YVREHKDNIG 810 SQYLLNWCVQ820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGRAE 865 EKEYHVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF910 GSKPYDGIPA 920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMRKC950 WMIDADSRPK960 FRELIIEFSK 970 MARDPQRYLV980 IQGDERLIPQ1020 Q
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KXY or .KXY2 or .KXY3 or :3KXY;style chemicals stick;color identity;select .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:747 or .A:751 or .A:755 or .A:759 or .A:762 or .A:763 or .A:766 or .A:769 or .A:774 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:853 or .A:854 or .A:855 or .A:856 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
PHE723
3.681
VAL726
4.216
ALA743
3.391
ILE744
4.175
LYS745
3.626
LEU747
3.789
THR751
3.811
ALA755
4.603
ILE759
3.626
GLU762
3.194
ALA763
3.420
MET766
3.389
VAL769
4.064
|
|||||
| Ligand Name: 2-[2-(3-methoxyphenyl)pyrimidin-4-yl]-1'-prop-2-enoylspiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR double mutant (T790M/L858R) in complex with compound 6. | PDB:7OXB | ||||
| Method | X-ray diffraction | Resolution | 2.56 Å | Mutation | Yes | [62] |
| PDB Sequence |
MGEAPNQALL
704 RILKETEFKK714 IKVLGSGAFG724 TVYKGLWIPE734 GEKVKIPVAI744 KELRSPKANK 757 EILDEAYVMA767 SVDNPHVCRL777 LGICLTSTVQ787 LIMQLMPFGC797 LLDYVREHKD 807 NIGSQYLLNW817 CVQIAKGMNY827 LEDRRLVHRD837 LAARNVLVKT847 PQHVKITDFG 857 RAKLLGHAEG873 GKVPIKWMAL883 ESILHRIYTH893 QSDVWSYGVT903 VWELMTFGSK 913 PYDGIPASEI923 SSILEKGERL933 PQPPICTIDV943 YMIMVKCWMI953 DADSRPKFRE 963 LIIEFSKMAR973 DPQRYLVIQG983 DERMHLPMDE1004 EDMDDVVDAD1014 EYLIP |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .35Z or .35Z2 or .35Z3 or :335Z;style chemicals stick;color identity;select .A:718 or .A:723 or .A:726 or .A:728 or .A:743 or .A:745 or .A:762 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:800 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.348
PHE723
3.400
VAL726
4.184
LYS728
3.891
ALA743
3.124
LYS745
3.028
GLU762
4.382
MET790
3.874
GLN791
3.561
LEU792
3.838
|
|||||
| Ligand Name: CID 46212971 | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR kinase domain in complex with compound 78 | PDB:6JZ0 | ||||
| Method | X-ray diffraction | Resolution | 2.86 Å | Mutation | No | [63] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELRATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLITQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGAEE866 KEYHAEGGKV876 PIKWMALESI886 LHRIYTHQSD896 VWSYGVTVWE 906 LMTFGSKPYD916 GIPASEISSI926 LEKGERLPQP936 PICTIDVYMI946 MVKCWMIDAD 956 SRPKFRELII966 EFSKMARDPQ976 RYLVIQGDER986 MHLMDEEDMD1008 DVVDADEYLI 1018 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CKO or .CKO2 or .CKO3 or :3CKO;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.662
GLY719
4.156
PHE723
4.043
VAL726
3.454
ALA743
3.596
ILE744
4.521
LYS745
3.874
GLU762
4.031
MET766
3.644
LEU788
3.977
ILE789
4.968
THR790
3.325
GLN791
3.296
|
|||||
| Ligand Name: 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide | Ligand Info | |||||
| Structure Description | EGFR-KINASE IN COMPLEX WITH COMPOUND 1 | PDB:6S9B | ||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | Yes | [51] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 ATSPKANKEI 759 LDEAYVMASV769 DNPHVCRLLG779 ICLTSTVQLI789 MQLMPFGCLL799 DYVREHKDNI 809 GSQYLLNWCV819 QIAKGMNYLE829 DRRLVHRDLA839 ARNVLVKTPQ849 HVKITDFGRA 859 KLLKVPIKWM881 ALESILHRIY891 THQSDVWSYG901 VTVWELMTFG911 SKPYDGIPAS 921 EISSILEKGE931 RLPQPPICTI941 DVYMIMVKCW951 MIDADSRPKF961 RELIIEFSKM 971 ARDPQRYLVI981 QGDERMHLPD1008 DVVDADEYLI1018 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L1H or .L1H2 or .L1H3 or :3L1H;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:745 or .A:762 or .A:766 or .A:775 or .A:776 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:797 or .A:841 or .A:842 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.762
GLY719
4.615
PHE723
3.810
VAL726
4.220
ALA743
3.257
LYS745
3.130
GLU762
3.288
MET766
4.458
CYS775
3.493
ARG776
4.692
MET790
3.352
GLN791
3.360
|
|||||
| Ligand Name: 1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | Ligand Info | |||||
| Structure Description | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1a | PDB:5J9Z | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [64] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GCLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGLAKVPIKW880 MALESILHRI890 YTHQSDVWSY900 GVTVWELMTF910 GSKPYDGIPA 920 SEISSILEKG930 ERLPQPPICT940 IDVYMIMVKC950 WMIDADSRPK960 FRELIIEFSK 970 MARDPQRYLV980 IQGDERMMDD1009 VVDADEYLIP1019 Q
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6HJ or .6HJ2 or .6HJ3 or :36HJ;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.761
GLY719
4.274
PHE723
4.062
VAL726
3.904
ALA743
3.173
ILE744
3.964
LYS745
3.692
GLU762
3.711
MET766
4.141
LEU788
3.708
ILE789
4.594
|
|||||
| Ligand Name: 1-[(3R)-3-(4-amino-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]prop-2-en-1-one | Ligand Info | |||||
| Structure Description | EGFR-T790M in complex with pyrazolopyrimidine inhibitor 1b | PDB:5J9Y | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [64] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLEKEY869 HAEGGKVPIK879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT 909 FGSKPYDGIP919 ASEISSILEK929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP 959 KFRELIIEFS969 KMARDPQRYL979 VIQGDEDMDD1009 VVDADEYLIP1019 |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6HL or .6HL2 or .6HL3 or :36HL;style chemicals stick;color identity;select .A:718 or .A:719 or .A:723 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:800 or .A:841 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.761
GLY719
4.057
PHE723
4.043
VAL726
3.922
ALA743
3.525
ILE744
3.898
LYS745
3.631
GLU762
3.525
MET766
4.188
LEU788
3.650
ILE789
4.703
|
|||||
| Ligand Name: N-[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]-5-[(Piperidin-1-Ylamino)methyl]pyrimidine-4,6-Diamine | Ligand Info | |||||
| Structure Description | Structure of EGFR in complex with hydrazone, a potent dual inhibitor | PDB:2RGP | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [65] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPVKIPVAIK745 ELRKANKEIL760 DEAYVMASVD 770 NPHVCRLLGI780 CLTSTVQLIT790 QLMPFGCLLD800 YVREHKDNIG810 SQYLLNWCVQ 820 IAKGMNYLED830 RRLVHRDLAA840 RNVLVKTPQH850 VKITDFGLAK860 LLGAEEKVPI 878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI918 PASEISSILE 928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR958 PKFRELIIEF968 SKMARDPQRY 978 LVIQGDERMN996 FYRALMDVVD1012 ADEY
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HYZ or .HYZ2 or .HYZ3 or :3HYZ;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:800 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.181
GLY719
3.697
SER720
4.888
VAL726
3.889
ALA743
3.293
ILE744
4.782
LYS745
3.509
MET766
3.792
CYS775
3.351
ARG776
3.115
LEU777
3.335
LEU788
3.348
ILE789
4.888
|
|||||
| Ligand Name: 4-Amino-6-{[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]amino}pyrimidine-5-Carbaldehyde O-(2-Methoxyethyl)oxime | Ligand Info | |||||
| Structure Description | X-ray structure of EGFR in complex with oxime inhibitor | PDB:3BEL | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [66] |
| PDB Sequence |
ALLRILKETE
711 FKKIKVLGSG721 AFGTVYKGLW731 IPVKIPVAIK745 ELKANKEILD761 EAYVMASVDN 771 PHVCRLLGIC781 LTSTVQLITQ791 LMPFGCLLDY801 VREHKDNIGS811 QYLLNWCVQI 821 AKGMNYLEDR831 RLVHRDLAAR841 NVLVKTPQHV851 KITDFGLAKL861 LGAEEKVPIK 879 WMALESILHR889 IYTHQSDVWS899 YGVTVWELMT909 FGSKPYDGIP919 ASEISSILEK 929 GERLPQPPIC939 TIDVYMIMVK949 CWMIDADSRP959 KFRELIIEFS969 KMARDPQRYL 979 VIQGDERNFY998 RALMVVDADE1015
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .POX or .POX2 or .POX3 or :3POX;style chemicals stick;color identity;select .A:718 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:796 or .A:797 or .A:800 or .A:844 or .A:854 or .A:855 or .A:856 or .A:858; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.764
VAL726
3.815
ALA743
3.281
ILE744
4.709
LYS745
3.419
MET766
3.819
CYS775
3.340
ARG776
3.174
LEU777
3.449
LEU788
3.196
ILE789
4.791
THR790
3.148
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| Ligand Name: 1-[(3R)-3-[4-amino-3-[3-chloro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one | Ligand Info | |||||
| Structure Description | Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34 | PDB:5GNK | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [67] |
| PDB Sequence |
EAPNQALLRI
706 LKETEFKKIK716 VLGSGAFGTV726 YKGLWIPEGE736 KVKIPVAIKE746 LREATSPKAN 756 KEILDEAYVM766 ASVDNPHVCR776 LLGICLTSTV786 QLIMQLMPFG796 CLLDYVREHK 806 DNIGSQYLLN816 WCVQIAKGMN826 YLEDRRLVHR836 DLAARNVLVK846 TPQHVKITDF 856 GLAKLLGVPI878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM908 TFGSKPYDGI 918 PASEISSILE928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR958 PKFRELIIEF 968 SKMARDPQRY978 LVIQGDE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .80U or .80U2 or .80U3 or :380U;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:726 or .A:743 or .A:744 or .A:745 or .A:766 or .A:775 or .A:776 or .A:777 or .A:788 or .A:789 or .A:790 or .A:791 or .A:792 or .A:793 or .A:796 or .A:797 or .A:799 or .A:800 or .A:841 or .A:844 or .A:853 or .A:854 or .A:855 or .A:856 or .A:858; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.660
GLY719
3.876
SER720
4.617
VAL726
3.707
ALA743
3.319
ILE744
4.209
LYS745
3.569
MET766
3.643
CYS775
3.507
ARG776
4.068
LEU777
3.808
LEU788
3.208
ILE789
4.569
MET790
3.001
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| Ligand Name: N-{trans-4-[3-(2-chlorophenyl)-7-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]cyclohexyl}propanamide | Ligand Info | |||||
| Structure Description | EGFR T790M/C797S in complex with compound 6i | PDB:6JRX | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [68] |
| PDB Sequence |
GEAPNQALLR
705 ILKETEFKKI715 KVLGSGAFGT725 VYKGLWIPEG735 EKVKIPVAIK745 ELREATSPKA 755 NKEILDEAYV765 MASVDNPHVC775 RLLGICLTST785 VQLIMQLMPF795 GSLLDYVREH 805 KDNIGSQYLL815 NWCVQIAKGM825 NYLEDRRLVH835 RDLAARNVLV845 KTPQHVKITD 855 FGLAKLLGAE868 YHAEGGKVPI878 KWMALESILH888 RIYTHQSDVW898 SYGVTVWELM 908 TFGSKPYDGI918 PASEISSILE928 KGERLPQPPI938 CTIDVYMIMV948 KCWMIDADSR 958 PKFRELIIEF968 SKMARDPQRY978 LVIQGDERMM1007 DDVVDADEYL1017 |
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9JO or .9JO2 or .9JO3 or :39JO;style chemicals stick;color identity;select .A:718 or .A:719 or .A:720 or .A:721 or .A:723 or .A:724 or .A:726 or .A:743 or .A:744 or .A:745 or .A:762 or .A:766 or .A:788 or .A:790 or .A:791 or .A:792 or .A:793 or .A:794 or .A:795 or .A:796 or .A:800 or .A:844 or .A:854 or .A:855; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU718
3.738
GLY719
3.496
SER720
3.598
GLY721
3.775
PHE723
3.399
GLY724
4.584
VAL726
3.613
ALA743
3.387
ILE744
4.298
LYS745
3.630
GLU762
2.962
MET766
4.513
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
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