Structure of PDB 3b2z Chain F Binding Site BS02

Receptor Information
>3b2z Chain F (length=293) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSL
VVTRLVILGSGEEGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAI
LFTRQDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHQLG
HVFNMLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITD
FLDNGYGHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLP
PPCAALWCSGHLNGHAMCQTKHSPWADGTPCGPAQACMGGRCL
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 chain3b2z Chain F Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b2z Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E221 D304 D311 C423 D426
Binding residue
(residue number reindexed from 1)		E7 D90 D97 C209 D212
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.82: ADAMTS-4 endopeptidase.
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:3b2z, PDBe:3b2z, PDBj:3b2z
PDBsum3b2z
PubMed18042673
UniProtO75173|ATS4_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 4 (Gene Name=ADAMTS4)

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