Structure of PDB 6hh1 Chain A Binding Site BS01

Receptor Information
>6hh1 Chain A (length=303) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNNYVYIDPTQLPYDHKWEFPRNRLSFGKTLGAGAFGKVVEATAYGLIKS
DAAMTVAVKMLKPSAHLTEREALMSELKVLSYLGNHMNIVNLLGACTIGG
PTLVITEYCCYGDLLNFLRRKRDSFICSKTSPAIELALDLEDLLSFSYQV
AKGMAFLASKNCIHRDLAARNILLTHGRITKICDFGLARDIKNDSNYVVK
GNARLPVKWMAPESIFNCVYTFESDVWSYGIFLWELFSLGSSPYPGMPVD
SKFYKMIKEGFRMLSPEHAPAEMYDIMKTCWDADPLKRPTFKQIVQLIEK
QIS
Ligand information
Ligand IDG4E
InChIInChI=1S/C21H19N5O/c1-14-4-3-5-19(15(14)2)23-21-24-20(25-26-21)16-6-8-17(9-7-16)27-18-10-12-22-13-11-18/h3-13H,1-2H3,(H2,23,24,25,26)
InChIKeyFRUZWHLTFSTCFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1cccc(c1C)Nc2[nH]c(nn2)c3ccc(cc3)Oc4ccncc4
CACTVS 3.385Cc1cccc(Nc2[nH]c(nn2)c3ccc(Oc4ccncc4)cc3)c1C
FormulaC21 H19 N5 O
Name~{N}-(2,3-dimethylphenyl)-5-(4-pyridin-4-yloxyphenyl)-4~{H}-1,2,4-triazol-3-amine
ChEMBL
DrugBank
ZINC
PDB chain6hh1 Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hh1 Structure of c-Kit with allosteric inhibitor 3G8
Resolution2.25 Å
Binding residue
(original residue number in PDB)		L595 A621 K623 L644 C673 L799 I808 C809 D810 F811
Binding residue
(residue number reindexed from 1)		L31 A57 K59 L80 C109 L173 I182 C183 D184 F185
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D810
Catalytic site (residue number reindexed from 1) D184
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004714 transmembrane receptor protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation
GO:0007169 cell surface receptor protein tyrosine kinase signaling pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:6hh1, PDBe:6hh1, PDBj:6hh1
PDBsum6hh1
PubMed
UniProtP10721|KIT_HUMAN Mast/stem cell growth factor receptor Kit (Gene Name=KIT)

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