Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T84040 | Target Info | |||
| Target Name | Transformation-sensitive protein p120 (TRPA1) | ||||
| Synonyms | TRPA1; Ankyrin-like with transmembrane domains protein 1; ANKTM1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | TRPA1 | ||||
| Biochemical Class | Transient receptor potential catioin channel | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Myo-inositol hexaphosphate | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 2 | PDB:7OR0 | ||||
| Method | Electron microscopy | Resolution | 2.64 Å | Mutation | Yes | [1] |
| PDB Sequence |
KSPLHFAASY
456 GRINTCQRLL466 QDISDTRLLN476 EGDLHGMTPL486 HLAAKNGHDK496 VVQLLLKKGA 506 LFLSDHNGWT516 ALHHASMGGY526 TQTMKVILDT536 NLKCTDRLDE546 DGNTALHFAA 556 REGHAKAVAL566 LLSHNADIVL576 NKQQASFLHL586 ALHNKRKEVV596 LTIIRSKRWD 606 ECLKIFSHNS616 PGNKCPITEM626 IEYLPECMKV636 LLDFCMLHST646 EDKSCRDYYI 656 EYNFKYLQCP666 LEFTKKTPTQ676 DVIYEPLTAL686 NAMVQNNRIE696 LLNHPVCKEY 706 LLMKWLAYGF716 RAHMMNLGSY726 CLGLIPMTIL736 VVNIKPGMAF746 NSTGIINEEI 761 LDTTNSYLIK771 TCMILVFLSS781 IFGYCKEAGQ791 INYFMDISNV806 LEWIIYTTGI 816 IFVLPLFVEI826 PAHLQWQCGA836 IAVYFYWMNF846 LLYLQRFENC856 GIFIVMLEVI 866 LKTLLRSTVV876 FIFLLLAFGL886 SFYILLNLQD896 PFSSPLLSII906 QTFSMMLGDI 916 NYRESFLEPY926 LRNELAHPVL936 SFAQLVSFTI946 FVPIVLMNLL956 IGLAVGDIAE 966 VQKHASLKRI976 AMQVELHTSL986 EKKLPLWFLR996 KVDQKSTIVY1006 PNKPKSLEME 1043 ILKQKYRLKD1053 LTFLLEKQHE1063 LIKLIIQKME1073 IISETE
|
|||||
|
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-(carboxymethylamino)-2-oxoacetic acid | Ligand Info | |||||
| Structure Description | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339) | PDB:6HC8 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
LADYLISVGA
333 DINKID
|
|||||
|
|
||||||
| Ligand Name: [4-[2-[[2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-1,3-thiazol-4-yl]phenyl]imino-iminoazanium | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60, conformation 2 | PDB:7OR0 | ||||
| Method | Electron microscopy | Resolution | 2.64 Å | Mutation | Yes | [1] |
| PDB Sequence |
KSPLHFAASY
456 GRINTCQRLL466 QDISDTRLLN476 EGDLHGMTPL486 HLAAKNGHDK496 VVQLLLKKGA 506 LFLSDHNGWT516 ALHHASMGGY526 TQTMKVILDT536 NLKCTDRLDE546 DGNTALHFAA 556 REGHAKAVAL566 LLSHNADIVL576 NKQQASFLHL586 ALHNKRKEVV596 LTIIRSKRWD 606 ECLKIFSHNS616 PGNKCPITEM626 IEYLPECMKV636 LLDFCMLHST646 EDKSCRDYYI 656 EYNFKYLQCP666 LEFTKKTPTQ676 DVIYEPLTAL686 NAMVQNNRIE696 LLNHPVCKEY 706 LLMKWLAYGF716 RAHMMNLGSY726 CLGLIPMTIL736 VVNIKPGMAF746 NSTGIINEEI 761 LDTTNSYLIK771 TCMILVFLSS781 IFGYCKEAGQ791 INYFMDISNV806 LEWIIYTTGI 816 IFVLPLFVEI826 PAHLQWQCGA836 IAVYFYWMNF846 LLYLQRFENC856 GIFIVMLEVI 866 LKTLLRSTVV876 FIFLLLAFGL886 SFYILLNLQD896 PFSSPLLSII906 QTFSMMLGDI 916 NYRESFLEPY926 LRNELAHPVL936 SFAQLVSFTI946 FVPIVLMNLL956 IGLAVGDIAE 966 VQKHASLKRI976 AMQVELHTSL986 EKKLPLWFLR996 KVDQKSTIVY1006 PNKPKSLEME 1043 ILKQKYRLKD1053 LTFLLEKQHE1063 LIKLIIQKME1073 IISETE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0IG or .0IG2 or .0IG3 or :30IG;style chemicals stick;color identity;select .A:707 or .A:708 or .A:711 or .A:716 or .A:720 or .A:723 or .A:846 or .A:850 or .A:852 or .A:853 or .A:854 or .A:855 or .A:856 or .A:979 or .A:982 or .A:983; 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: 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPA1 C621S mutant in the apo state | PDB:6PQQ | ||||
| Method | Electron microscopy | Resolution | 2.81 Å | Mutation | Yes | [3] |
| PDB Sequence |
KKSPLHFAAS
455 YGRINTCQRL465 LQDISDTRLL475 NEGDLHGMTP485 LHLAAKNGHD495 KVVQLLLKKG 505 ALFLSDHNGW515 TALHHASMGG525 YTQTMKVILD535 TNLKCTDRLD545 EDGNTALHFA 555 AREGHAKAVA565 LLLSHNADIV575 LNKQQASFLH585 LALHNKRKEV595 VLTIIRSKRW 605 DECLKIFSHN615 SPGNKSPITE625 MIEYLPECMK635 VLLDFCMLHS645 TEDKSCRDYY 655 IEYNFKYLQC665 PLEDVIYEPL683 TALNAMVQNN693 RIELLNHPVC703 KEYLLMKWLA 713 YGFRAHMMNL723 GSYCLGLIPM733 TILVVNIKPG743 MAFNSTGIIN753 ILDTTNSYLI 770 KTCMILVFLS780 SIFGYCKEAG790 QIFQQKRNYF800 MDISNVLEWI810 IYTTGIIFVL 820 PLFVEIPAHL830 QWQCGAIAVY840 FYWMNFLLYL850 QRFENCGIFI860 VMLEVILKTL 870 LRSTVVFIFL880 LLAFGLSFYI890 LLNLQDPFSS900 PLLSIIQTFS910 MMLGDINYRE 920 SFLEPYLRNE930 LAHPVLSFAQ940 LVSFTIFVPI950 VLMNLLIGLA960 VGDIAEVQKH 970 ASLKRIAMQV980 ELHTSLEKKL990 PLWFLRKVDQ1000 KSTIVYPNKP1010 RSMLFHIFCF 1022 LFCSLEMEIL1045 KQKYRLKDLT1055 FLLEKQHELI1065 KLIIQKMEII1075 SETE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6OU or .6OU2 or .6OU3 or :36OU;style chemicals stick;color identity;select .A:731 or .A:734 or .A:735 or .A:738 or .A:739 or .A:766 or .A:769 or .A:803 or .A:806 or .A:807 or .A:809 or .A:810 or .A:813 or .A:814 or .A:817 or .A:829 or .A:833 or .A:834 or .A:837 or .A:841 or .A:868 or .A:871 or .A:872 or .A:874 or .A:878 or .A:879 or .A:882 or .A:901 or .A:902 or .A:905 or .A:926 or .A:934 or .A:935 or .A:938 or .A:939 or .A:942 or .A:943 or .A:946 or .A:947; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE731
2.831
THR734
3.792
ILE735
3.748
VAL738
3.319
ASN739
2.571
ASN766
3.304
LEU769
3.480
ILE803
3.734
VAL806
4.611
LEU807
4.300
TRP809
3.936
ILE810
4.186
THR813
3.328
THR814
3.978
ILE817
4.720
HIS829
3.544
GLN833
3.036
CYS834
4.547
ILE837
4.153
PHE841
4.057
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | Ligand Info | |||||
| Structure Description | Cryo-EM structure of human TRPA1 C621S mutant in the apo state | PDB:6PQQ | ||||
| Method | Electron microscopy | Resolution | 2.81 Å | Mutation | Yes | [3] |
| PDB Sequence |
KKSPLHFAAS
455 YGRINTCQRL465 LQDISDTRLL475 NEGDLHGMTP485 LHLAAKNGHD495 KVVQLLLKKG 505 ALFLSDHNGW515 TALHHASMGG525 YTQTMKVILD535 TNLKCTDRLD545 EDGNTALHFA 555 AREGHAKAVA565 LLLSHNADIV575 LNKQQASFLH585 LALHNKRKEV595 VLTIIRSKRW 605 DECLKIFSHN615 SPGNKSPITE625 MIEYLPECMK635 VLLDFCMLHS645 TEDKSCRDYY 655 IEYNFKYLQC665 PLEDVIYEPL683 TALNAMVQNN693 RIELLNHPVC703 KEYLLMKWLA 713 YGFRAHMMNL723 GSYCLGLIPM733 TILVVNIKPG743 MAFNSTGIIN753 ILDTTNSYLI 770 KTCMILVFLS780 SIFGYCKEAG790 QIFQQKRNYF800 MDISNVLEWI810 IYTTGIIFVL 820 PLFVEIPAHL830 QWQCGAIAVY840 FYWMNFLLYL850 QRFENCGIFI860 VMLEVILKTL 870 LRSTVVFIFL880 LLAFGLSFYI890 LLNLQDPFSS900 PLLSIIQTFS910 MMLGDINYRE 920 SFLEPYLRNE930 LAHPVLSFAQ940 LVSFTIFVPI950 VLMNLLIGLA960 VGDIAEVQKH 970 ASLKRIAMQV980 ELHTSLEKKL990 PLWFLRKVDQ1000 KSTIVYPNKP1010 RSMLFHIFCF 1022 LFCSLEMEIL1045 KQKYRLKDLT1055 FLLEKQHELI1065 KLIIQKMEII1075 SETE |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LBN or .LBN2 or .LBN3 or :3LBN;style chemicals stick;color identity;select .A:707 or .A:708 or .A:711 or .A:716 or .A:720 or .A:727 or .A:731 or .A:802 or .A:803 or .A:804 or .A:807 or .A:840 or .A:841 or .A:843 or .A:844 or .A:846 or .A:847 or .A:848 or .A:850 or .A:851 or .A:853 or .A:854 or .A:855 or .A:856 or .A:860 or .A:863 or .A:864 or .A:867 or .A:868 or .A:870 or .A:871 or .A:874 or .A:877 or .A:878 or .A:881 or .A:905 or .A:909 or .A:979 or .A:1023 or .A:1024; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU707
4.490
LEU708
3.812
TRP711
3.689
PHE716
4.445
MET720
4.767
CYS727
3.935
ILE731
4.493
ASP802
3.357
ILE803
3.574
SER804
3.813
LEU807
4.392
TYR840
3.920
PHE841
4.129
TRP843
4.824
MET844
3.710
PHE846
3.789
LEU847
4.812
LEU848
4.010
LEU850
4.354
GLN851
3.599
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist JT010 | PDB:6PQO | ||||
| Method | Electron microscopy | Resolution | 2.88 Å | Mutation | No | [3] |
| PDB Sequence |
KKSPLHFAAS
455 YGRINTCQRL465 LQDISDTRLL475 NEGDLHGMTP485 LHLAAKNGHD495 KVVQLLLKKG 505 ALFLSDHNGW515 TALHHASMGG525 YTQTMKVILD535 TNLKCTDRLD545 EDGNTALHFA 555 AREGHAKAVA565 LLLSHNADIV575 LNKQQASFLH585 LALHNKRKEV595 VLTIIRSKRW 605 DECLKIFSHN615 SPGNKCPITE625 MIEYLPECMK635 VLLDFCMLHS645 TEDKSCRDYY 655 IEYNFKYLQC665 PLEFTKKTPT675 QDVIYEPLTA685 LNAMVQNNRI695 ELLNHPVCKE 705 YLLMKWLAYG715 FRAHMMNLGS725 YCLGLIPMTI735 LVVNIKPGMA745 FNSTGIINIL 762 DTTNSYLIKT772 CMILVFLSSI782 FGYCKEAGQI792 FQQKRNYFMD802 ISNVLEWIIY 812 TTGIIFVLPL822 FVEIPAHLQW832 QCGAIAVYFY842 WMNFLLYLQR852 FENCGIFIVM 862 LEVILKTLLR872 STVVFIFLLL882 AFGLSFYILL892 NLQDPFSSPL902 LSIIQTFSMM 912 LGDINYRESF922 LEPYLRNELA932 HPVLSFAQLV942 SFTIFVPIVL952 MNLLIGLAVG 962 DIAEVQKHAS972 LKRIAMQVEL982 HTSLEKKLPL992 WFLRKVDQKS1002 TIVYPNKPRS 1012 MLFHIFCFLF1024 CSLEMEILKQ1047 KYRLKDLTFL1057 LEKQHELIKL1067 IIQKMEIISE 1077 TE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .JT0 or .JT02 or .JT03 or :3JT0;style chemicals stick;color identity;select .D:609 or .D:612 or .D:614 or .D:621 or .D:622 or .D:623 or .D:624 or .D:661 or .D:662 or .D:664 or .D:665 or .D:666 or .D:669 or .D:680 or .D:684; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-Benzylthioformamide | Ligand Info | |||||
| Structure Description | Cryo-EM structure of the human TRPA1 ion channel in complex with the covalent agonist BITC | PDB:6PQP | ||||
| Method | Electron microscopy | Resolution | 3.06 Å | Mutation | No | [3] |
| PDB Sequence |
KKSPLHFAAS
455 YGRINTCQRL465 LQDISDTRLL475 NEGDLHGMTP485 LHLAAKNGHD495 KVVQLLLKKG 505 ALFLSDHNGW515 TALHHASMGG525 YTQTMKVILD535 TNLKCTDRLD545 EDGNTALHFA 555 AREGHAKAVA565 LLLSHNADIV575 LNKQQASFLH585 LALHNKRKEV595 VLTIIRSKRW 605 DECLKIFSHN615 SPGNKCPITE625 MIEYLPECMK635 VLLDFCMLHS645 TEDKSCRDYY 655 IEYNFKYLQC665 PLEFTKKTPT675 QDVIYEPLTA685 LNAMVQNNRI695 ELLNHPVCKE 705 YLLMKWLAYG715 FRAHMMNLGS725 YCLGLIPMTI735 LVVNIKPGMA745 FNSTGIINIL 762 DTTNSYLIKT772 CMILVFLSSI782 FGYCKEAGQI792 FQQKRNYFMD802 ISNVLEWIIY 812 TTGIIFVLPL822 FVEIPAHLQW832 QCGAIAVYFY842 WMNFLLYLQR852 FENCGIFIVM 862 LEVILKTLLR872 STVVFIFLLL882 AFGLSFYILL892 NLQDPFSSPL902 LSIIQTFSMM 912 LGDINYRESF922 LEPYLRNELA932 HPVLSFAQLV942 SFTIFVPIVL952 MNLLIGLAVG 962 DIAEVQKHAS972 LKRIAMQVEL982 HTSLEKKLPL992 WFLRKVDQKS1002 TIVYPNKPRS 1012 GGMLFHIFCF1022 LFCTSLEMEI1044 LKQKYRLKDL1054 TFLLEKQHEL1064 IKLIIQKMEI 1074 ISETE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9BE or .9BE2 or .9BE3 or :39BE;style chemicals stick;color identity;select .A:609 or .A:612 or .A:621 or .A:622 or .A:623 or .A:624 or .A:661 or .A:662 or .A:663 or .A:664 or .A:665 or .A:684; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-amino-1-(4-bromo-2-fluorobenzyl)-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide | Ligand Info | |||||
| Structure Description | Structure of human TRPA1 in complex with agonist GNE551 | PDB:6X2J | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [4] |
| PDB Sequence |
SPLHFAASYG
457 RINTCQRLLQ467 DISDTRLLNE477 GDLHGMTPLH487 LAAKNGHDKV497 VQLLLKKGAL 507 FLSDHNGWTA517 LHHASMGGYT527 QTMKVILDTN537 LKCTDRLDED547 GNTALHFAAR 557 EGHAKAVALL567 LSHNADIVLN577 KQQASFLHLA587 LHNKRKEVVL597 TIIRSKRWDE 607 CLKIFSHNSP617 GNKCPITEMI627 EYLPECMKVL637 LDFCMLHSTE647 DKSCRDYYIE 657 YNFKYLQCLT684 ALNAMVQNNR694 IELLNHPVCK704 EYLLMKWLAY714 GFRAHMMNLG 724 SYCLGLIPMT734 ILVVNIKPGM744 AFNSTGIINN766 SYLIKTCMIL776 VFLSSIFGYC 786 KEISNVLEWI810 IYTTGIIFVL820 PLFVEIPAHL830 QWQCGAIAVY840 FYWMNFLLYL 850 QRFENCGIFI860 VMLEVILKTL870 LRSTVVFIFL880 LLAFGLSFYI890 LLNLQDPFSS 900 PLLSIIQTFS910 MMLGDINYRE920 SFLEPYLRNE930 LAHPVLSFAQ940 LVSFTIFVPI 950 VLMNLLIGLA960 VGDIADVQKH970 ASLKRIAMQV980 ELHTSLEKKL990 PLWFLRKVDQ 1000 KSTIVYPSLE1041 MEILKQKYRL1051 KDLTFLLEKQ1061 HELIKLIIQK1071 MEIISET |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ULJ or .ULJ2 or .ULJ3 or :3ULJ;style chemicals stick;color identity;select .A:884 or .A:887 or .A:891 or .A:936 or .A:939 or .A:940 or .A:942 or .A:943 or .A:947; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one | Ligand Info | |||||
| Structure Description | Structure of human TRPA1 in complex with antagonist compound 21 | PDB:7JUP | ||||
| Method | Electron microscopy | Resolution | 3.05 Å | Mutation | No | [5] |
| PDB Sequence |
SPLHFAASYG
457 RINTCQRLLQ467 DISDTRLLNE477 GDLHGMTPLH487 LAAKNGHDKV497 VQLLLKKGAL 507 FLSDHNGWTA517 LHHASMGGYT527 QTMKVILDTN537 LKCTDRLDED547 GNTALHFAAR 557 EGHAKAVALL567 LSHNADIVLN577 KQQASFLHLA587 LHNKRKEVVL597 TIIRSKRWDE 607 CLKIFSHNSP617 GNKCPITEMI627 EYLPECMKVL637 LDFCMLHSTE647 DKSCRDYYIE 657 YNFKYLQCLT684 ALNAMVQNNR694 IELLNHPVCK704 EYLLMKWLAY714 GFRAHMMNLG 724 SYCLGLIPMT734 ILVVNIKPGM744 AFNSTGIINN766 SYLIKTCMIL776 VFLSSIFGYC 786 KEISNVLEWI810 IYTTGIIFVL820 PLFVEIPAHL830 QWQCGAIAVY840 FYWMNFLLYL 850 QRFENCGIFI860 VMLEVILKTL870 LRSTVVFIFL880 LLAFGLSFYI890 LLNLQDPFSS 900 PLLSIIQTFS910 MMLGDINYRE920 SFLEPYLRNE930 LAHPVLSFAQ940 LVSFTIFVPI 950 VLMNLLIGLA960 VGDIADVQKH970 ASLKRIAMQV980 ELHTSLEKKL990 PLWFLRKVDQ 1000 KSTIVYPSLE1041 MEILKQKYRL1051 KDLTFLLEKQ1061 HELIKLIIQK1071 MEIISET |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VKM or .VKM2 or .VKM3 or :3VKM;style chemicals stick;color identity;select .A:704 or .A:707 or .A:708 or .A:710 or .A:711 or .A:850 or .A:851 or .A:852 or .A:853 or .A:854 or .A:855 or .A:856 or .A:857 or .A:858 or .A:861 or .A:967 or .A:971 or .A:974 or .A:975 or .A:976 or .A:978 or .A:979 or .A:982 or .A:983; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS704
4.358
LEU707
2.479
LEU708
2.291
LYS710
4.602
TRP711
2.205
LEU850
4.764
GLN851
2.564
ARG852
2.624
PHE853
2.908
GLU854
1.948
ASN855
4.995
CYS856
4.826
|
|||||
| Ligand Name: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide | Ligand Info | |||||
| Structure Description | Structure of human TRPA1 in complex with inhibitor GDC-0334 | PDB:6WJ5 | ||||
| Method | Electron microscopy | Resolution | 3.60 Å | Mutation | No | [6] |
| PDB Sequence |
SPLHFAASYG
457 RINTCQRLLQ467 DISDTRLLNE477 GDLHGMTPLH487 LAAKNGHDKV497 VQLLLKKGAL 507 FLSDHNGWTA517 LHHASMGGYT527 QTMKVILDTN537 LKCTDRLDED547 GNTALHFAAR 557 EGHAKAVALL567 LSHNADIVLN577 KQQASFLHLA587 LHNKRKEVVL597 TIIRSKRWDE 607 CLKIFSHNSP617 GNKCPITEMI627 EYLPECMKVL637 LDFCMLHSTE647 DKSCRDYYIE 657 YNFKYLQCLT684 ALNAMVQNNR694 IELLNHPVCK704 EYLLMKWLAY714 GFRAHMMNLG 724 SYCLGLIPMT734 ILVVNIKPGM744 AFNSTGIINI761 LDTTNSYLIK771 TCMILVFLSS 781 IFGYCKEISN805 VLEWIIYTTG815 IIFVLPLFVE825 IPAHLQWQCG835 AIAVYFYWMN 845 FLLYLQRFEN855 CGIFIVMLEV865 ILKTLLRSTV875 VFIFLLLAFG885 LSFYILLNLQ 895 DPFSSPLLSI905 IQTFSMMLGD915 INYRESFLEP925 YLRNELAHPV935 LSFAQLVSFT 945 IFVPIVLMNL955 LIGLAVGDIA965 DVQKHASLKR975 IAMQVELHTS985 LEKKLPLWFL 995 RKVDQKSTIV1005 YPSLEMEILK1046 QKYRLKDLTF1056 LLEKQHELIK1066 LIIQKMEIIS 1076 ET
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .LXY or .LXY2 or .LXY3 or :3LXY;style chemicals stick;color identity;select .A:867 or .A:870 or .A:871 or .A:873 or .A:874 or .A:875 or .A:877 or .A:878 or .A:880 or .A:881 or .A:884 or .A:902 or .A:905 or .A:906 or .A:908 or .A:909 or .A:912 or .A:944 or .A:948 or .A:952 or .A:953 or .A:956; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU867
3.852
LEU870
2.314
LEU871
2.426
SER873
2.559
THR874
1.752
VAL875
4.946
PHE877
2.437
ILE878
2.843
LEU880
3.206
LEU881
2.221
PHE884
3.796
|
|||||
| Ligand Name: ~{N}-[[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]methyl]ethanamide | Ligand Info | |||||
| Structure Description | Structure of TRPA1 modified by Bodipy-iodoacetamide with bound calcium, LMNG | PDB:6V9V | ||||
| Method | Electron microscopy | Resolution | 2.60 Å | Mutation | Yes | [7] |
| PDB Sequence |
KSPLHFAASY
456 GRINTCQRLL466 QDISDTRLLN476 EGDLHGMTPL486 HLAAKNGHDK496 VVQLLLKKGA 506 LFLSDHNGWT516 ALHHASMGGY526 TQTMKVILDT536 NLKCTDRLDE546 DGNTALHFAA 556 REGHAKAVAL566 LLSHNADIVL576 NKQQASFLHL586 ALHNKRKEVV596 LTIIRSKRWD 606 ECLKIFSHNS616 PGNKCPITEM626 IEYLPECMKV636 LLDFCMLHST646 EDKSCRDYYI 656 EYNFKYLQCP666 LEFTKKTPTQ676 DVIYEPLTAL686 NAMVQNNRIE696 LLNHPVCKEY 706 LLMKWLAYGF716 RAHMMNLGSY726 CLGLIPMTIL736 VVNIKPGMAF746 NSTGIINLDT 764 TNSYLIKTCM774 ILVFLSSIFG784 YCKEAGQIFQ794 QKRNYFMDIS804 NVLEWIIYTT 814 GIIFVLPLFV824 EIPAHLQWQC834 GAIAVYFYWM844 NFLLYLQRFE854 NCGIFIVMLE 864 VILKTLLRST874 VVFIFLLLAF884 GLSFYILLNL894 QDPFSSPLLS904 IIQTFSMMLG 914 DINYRESFLE924 PYLRNELAHP934 VLSFAQLVSF944 TIFVPIVLMN954 LLIGLAVGDI 964 ADVQKHASLK974 RIAMQVELHT984 SLEKKLPLWF994 LRKVDQKSTI1004 VYPNKPSLEM 1042 EILKQKYRLK1052 DLTFLLEKQH1062 ELIKLIIQKM1072 EIISETE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QT4 or .QT42 or .QT43 or :3QT4;style chemicals stick;color identity;select .A:609 or .A:610 or .A:612 or .A:614 or .A:621 or .A:622 or .A:623 or .A:624 or .A:664 or .A:665 or .A:666 or .A:669 or .A:680 or .A:684; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Cryo-EM structure of the human TRPA1 ion channel in complex with the antagonist 3-60 | ||||
| REF 2 | Factor Inhibiting HIF (FIH) in complex with zinc, NOG and TRPA1 (313-339) | ||||
| REF 3 | Structural Insights into Electrophile Irritant Sensing by the Human TRPA1 Channel. Neuron. 2020 Mar 4;105(5):882-894.e5. | ||||
| REF 4 | A Non-covalent Ligand Reveals Biased Agonism of the TRPA1 Ion Channel. Neuron. 2021 Jan 20;109(2):273-284.e4. | ||||
| REF 5 | Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J Med Chem. 2021 Apr 8;64(7):3843-3869. | ||||
| REF 6 | A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment. J Exp Med. 2021 Apr 5;218(4):e20201637. | ||||
| REF 7 | Irritant-evoked activation and calcium modulation of the TRPA1 receptor. Nature. 2020 Sep;585(7823):141-145. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.