Structure of PDB 2rjp Chain C Binding Site BS01

Receptor Information
>2rjp Chain C (length=290) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSL
VVTRLVILEGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTR
QDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHQLGHVFN
MLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITDFLDN
GYGHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLPPPCA
ALWCSGHLNGHAMCQTKHSPWADGTPCGPAQACMGGRCLH
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 chain2rjp Chain C Residue 1 [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)		H361 H365 H371
Binding residue
(residue number reindexed from 1)		H143 H147 H153
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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