Structure of PDB 6yjm Chain B Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6yjm Chain B Residue 501 [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)		H410 H414 H420
Binding residue
(residue number reindexed from 1)		H142 H146 H152
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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