Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
EGFR_HUMAN
Ligand General Information  Top
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
PubChem Substance ID 384403773
Drug Binding Sites of Target  Top
PDB ID: 6JRX      EGFR T790M/C797S in complex with compound 6i
Method X-ray diffraction Resolution 2.20 Å Mutation Yes [1]
PDB Sequence
GEAPNQALLR
705
ILKETEFKKI
715
KVLGSGAFGT
725
VYKGLWIPEG
735
EKVKIPVAIK
745

ELREATSPKA
755
NKEILDEAYV
765
MASVDNPHVC
775
RLLGICLTST
785
VQLIMQLMPF
795

GSLLDYVREH
805
KDNIGSQYLL
815
NWCVQIAKGM
825
NYLEDRRLVH
835
RDLAARNVLV
845

KTPQHVKITD
855
FGLAKLLGAE
868
YHAEGGKVPI
878
KWMALESILH
888
RIYTHQSDVW
898

SYGVTVWELM
908
TFGSKPYDGI
918
PASEISSILE
928
KGERLPQPPI
938
CTIDVYMIMV
948

KCWMIDADSR
958
PKFRELIIEF
968
SKMARDPQRY
978
LVIQGDERMM
1007
DDVVDADEYL
1017
Residue
Distance (Å)
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
Residue
Distance (Å)
LEU788
4.072
MET790
3.448
GLN791
3.189
LEU792
3.765
MET793
2.635
PRO794
3.306
PHE795
4.403
GLY796
3.473
ASP800
4.941
LEU844
3.464
THR854
4.693
ASP855
4.663
PDB ID: 5ZTO      Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003
Method X-ray diffraction Resolution 2.65 Å Mutation Yes [2]
PDB Sequence
EAPNQALLRI
706
LKETEFKKIK
716
VLGSGAFGTV
726
YKGLWIPEGE
736
KVKIPVAIKE
746

LATSPKANKE
758
ILDEAYVMAS
768
VDNPHVCRLL
778
GICLTSTVQL
788
IMQLMPFGSL
798

LDYVREHKDN
808
IGSQYLLNWC
818
VQIAKGMNYL
828
EDRRLVHRDL
838
AARNVLVKTP
848

QHVKITDFGL
858
APIKWMALES
885
ILHRIYTHQS
895
DVWSYGVTVW
905
ELMTFGSKPY
915

DGIPASEISS
925
ILEKGERLPQ
935
PPICTIDVYM
945
IMVKCWMIDA
955
DSRPKFRELI
965

IEFSKMARDP
975
QRYLVIQGDE
985
RMHLPSPTDS
995
NFYMDDVVDA
1013
DEYL
Residue
Distance (Å)
LEU718
3.583
GLY719
3.652
SER720
4.006
GLY721
4.402
VAL726
3.562
ALA743
3.480
ILE744
4.085
LYS745
3.661
GLU762
2.871
MET766
3.296
LEU788
3.828
Residue
Distance (Å)
MET790
3.495
GLN791
3.485
LEU792
3.813
MET793
2.510
PRO794
3.526
PHE795
4.369
GLY796
3.458
ASP800
4.277
LEU844
3.834
THR854
4.078
References  Top
REF 1 Design, Synthesis, and Structure-Activity Relationships of 1,2,3-Triazole Benzenesulfonamides as New Selective Leucine-Zipper and Sterile-Alpha Motif Kinase (ZAK) Inhibitors. J Med Chem. 2020 Mar 12;63(5):2114-2130.
REF 2 Crystal structure of EGFR 696-1022 T790M/C797S in complex with D3003

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.