Structure of PDB 7b40 Chain A Binding Site BS01

Receptor Information
>7b40 Chain A (length=279) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKK
IHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLGSPLVVL
PYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAA
RNCMLDEKFTVKVADFGLARDMYDKEYYPVKWMALESLQTQKFTTKSDVW
SFGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVML
KCWHPKAEMRPSFSELVSRISAIFSTFIG
Ligand information
Ligand IDSWN
InChIInChI=1S/C22H23N5/c1-2-4-16(5-3-1)10-18-13-25-22-21(18)11-17(12-24-22)19-14-26-27(15-19)20-6-8-23-9-7-20/h1-5,11-15,20,23H,6-10H2,(H,24,25)
InChIKeyUVTQCOUVBMODTI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5
CACTVS 3.385C1CC(CCN1)n2cc(cn2)c3cnc4[nH]cc(Cc5ccccc5)c4c3
FormulaC22 H23 N5
Name3-(phenylmethyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
ChEMBLCHEMBL4784342
DrugBank
ZINC
PDB chain7b40 Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7b40 Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		I1084 V1092 A1108 K1110 L1157 Y1159 M1160 G1163 M1211 A1226 M1229
Binding residue
(residue number reindexed from 1)		I30 V38 A54 K56 L100 Y102 M103 G106 M154 A169 M172
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D1204 R1208 N1209 D1222
Catalytic site (residue number reindexed from 1) D147 R151 N152 D165
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:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:7b40, PDBe:7b40, PDBj:7b40
PDBsum7b40
PubMed33488978
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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