Structure of PDB 6yjm Chain B Binding Site BS02

Receptor Information
>6yjm Chain B (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RARQVELLLVADASMARKYGRGLQHYLLTLASIANRLYSHASIENHIRLA
VVKVVVLKSLEVSKNAATTLKNFCKWQHQHNQLGDDHEEHYDAAILFTRE
DLCGHHSCDTLGMADVGTICSPERSCAVIEDDGLHAAFTVAHEIGHLLGL
SHDDSKFCEETFGSTEDKRLMSSILTSIDASKPWSKCTSATITEFLDDGH
GNCLLDLPRKQI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6yjm Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yjm Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		E270 D353 D360 C471 D474
Binding residue
(residue number reindexed from 1)		E6 D85 D92 C203 D206
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.-
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6yjm, PDBe:6yjm, PDBj:6yjm
PDBsum6yjm
PubMed33719441
UniProtQ9UNA0|ATS5_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 5 (Gene Name=ADAMTS5)

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