Structure of PDB 7b43 Chain A Binding Site BS01

Receptor Information
>7b43 Chain A (length=277) 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
KCWHPKAEMRPSFSELVSRISAIFSTF
Ligand information
Ligand IDSW5
InChIInChI=1S/C22H22FN5/c23-19-3-1-15(2-4-19)9-17-12-26-22-21(17)10-16(11-25-22)18-13-27-28(14-18)20-5-7-24-8-6-20/h1-4,10-14,20,24H,5-9H2,(H,25,26)
InChIKeyYNHYKEIIJAKBHQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Cc2c[nH]c3c2cc(cn3)c4cnn(c4)C5CCNCC5)F
CACTVS 3.385Fc1ccc(Cc2c[nH]c3ncc(cc23)c4cnn(c4)C5CCNCC5)cc1
FormulaC22 H22 F N5
Name3-[(4-fluorophenyl)methyl]-5-(1-piperidin-4-ylpyrazol-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
ChEMBLCHEMBL4792886
DrugBank
ZINC
PDB chain7b43 Chain A Residue 1401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b43 Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		I1084 F1089 V1092 A1108 K1110 L1157 Y1159 M1160 G1163 M1211 A1226
Binding residue
(residue number reindexed from 1)		I30 F35 V38 A54 K56 L100 Y102 M103 G106 M154 A169
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:7b43, PDBe:7b43, PDBj:7b43
PDBsum7b43
PubMed33488978
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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