Structure of PDB 3hyg Chain B Binding Site BS04

Receptor Information
>3hyg Chain B (length=217) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRARQVELLLVADASMARKYGRGLQHYLLTLASIANRLYSHASIENHIRL
AVVKVVVLGDKDKSLEVSKNAATTLKNFCKWQHQHNQLGDDHEEHYDAAI
LFTREDLCGHHSCDTLGMADVGTICSPERSCAVIEDDGLHAAFTVAHEIG
HLLGLSHDDSKFCEETFGSTEDKRLMSSILTSIDASKPWSKCTSATITEF
LDDGHGNCLLDLPRKQI
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 chain3hyg Chain B Residue 904 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3hyg Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D369 L370 C376 T378 E398
Binding residue
(residue number reindexed from 1)		D106 L107 C113 T115 E135
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:3hyg, PDBe:3hyg, PDBj:3hyg
PDBsum3hyg
PubMed19586907
UniProtQ9UNA0|ATS5_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 5 (Gene Name=ADAMTS5)

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