Structure of PDB 1r0p Chain A Binding Site BS01

Receptor Information
>1r0p Chain A (length=301) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVHIDLSALNPELVQAVQHVVIGPSSLIVHFNEVIGRGHFGCVYHGTLLD
KIHCAVKSLNRITDIGEVSQFLTEGIIMKDFSHPNVLSLLGICLRSEGSP
LVVLPYMKHGDLRNFIRNETHNPTVKDLIGFGLQVAKGMKFLASKKFVHR
DLAARNCMLDEKFTVKVADFGLARDMYDKEFDSVHNKTGAKLPVKWMALE
SLQTQKFTTKSDVWSFGVLLWELMTRGAPPYPITVYLLQGRRLLQPEYCP
DPLYEVMLKCWHPKAEMRPSFSELVSRISAIFSTFIGEHYVHVNATYVNV
K
Ligand information
Ligand IDKSA
InChIInChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1
InChIKeyKOZFSFOOLUUIGY-SOLYNIJKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O
ACDLabs 10.04O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC8(O)C(=O)OC)C
OpenEye OEToolkits 1.5.0CC12C(CC(O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O
CACTVS 3.341COC(=O)[C]1(O)C[CH]2O[C]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
CACTVS 3.341COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35
FormulaC27 H21 N3 O5
NameK-252A
ChEMBLCHEMBL281948
DrugBankDB02152
ZINCZINC000003872984
PDB chain1r0p Chain A Residue 0 [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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PDB1r0p Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-Met and its complex with the microbial alkaloid K-252a
Resolution1.8 Å
Binding residue
(original residue number in PDB)		I1084 V1092 A1108 K1110 P1158 Y1159 M1160 M1211 R1227 M1229 Y1230
Binding residue
(residue number reindexed from 1)		I35 V43 A55 K57 P105 Y106 M107 M158 R174 M176 Y177
Annotation score1
Binding affinityMOAD: Kd=10nM
PDBbind-CN: -logKd/Ki=8.00,Kd=10nM
Enzymatic activity
Catalytic site (original residue number in PDB) D1204 A1206 R1208 N1209 D1222 A1243
Catalytic site (residue number reindexed from 1) D151 A153 R155 N156 D169 A190
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:1r0p, PDBe:1r0p, PDBj:1r0p
PDBsum1r0p
PubMed14559966
UniProtP08581|MET_HUMAN Hepatocyte growth factor receptor (Gene Name=MET)

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