Structure of PDB 7b43 Chain B Binding Site BS01

Receptor Information
>7b43 Chain B (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLDNDGKK
IHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLSPLVVLP
YMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKYLASKKFVHRDLAAR
NCMLDEKFTVKVADFGLARDMYDKEYYPVKWMALESLQTQKFTTKSDVWS
FGVLLWELMTRGAPPYPDVNTFDITVYLLQGRRLLQPEYCPDPLYEVMLK
CWHPKAEMRPSFSELVSRISAIFSTFIG
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 B 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 P1158 Y1159 M1160 H1162 G1163 M1211 A1226 M1229
Binding residue
(residue number reindexed from 1)		I30 F35 V38 A54 K56 L99 P100 Y101 M102 H104 G105 M153 A168 M171
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D1204 R1208 N1209 D1222
Catalytic site (residue number reindexed from 1) D146 R150 N151 D164
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

View graph for
Molecular Function
View graph for
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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