Structure of PDB 2rjp Chain D Binding Site BS02

Receptor Information
>2rjp Chain D (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSL
VVTRLVILGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQ
DLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHQLGHVFNM
LHDNSKPCISLNSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYGHCL
LDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPPCAALWCSGHLNG
HAMCQTKHSPWADGTPCGPAQACMGGRC
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 chain2rjp Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2rjp Crystal structures of the two major aggrecan degrading enzymes, ADAMTS4 and ADAMTS5.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D320 L321 C327 T329 E349
Binding residue
(residue number reindexed from 1)		D101 L102 C108 T110 E130
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:2rjp, PDBe:2rjp, PDBj:2rjp
PDBsum2rjp
PubMed18042673
UniProtO75173|ATS4_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 4 (Gene Name=ADAMTS4)

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