Structure of PDB 4ilw Chain D Binding Site BS03

Receptor Information
>4ilw Chain D (length=159) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPKWRKTHLTYRIVNYTPDLPRDAVDSAIEKALKVWEEVTPLTFSRLYEG
EADIMISFAVKEHGDFYSFDGPGHSLAHAYPPGPGLYGDIHFDDDEKWTE
DASGTNLFLVAAHELGHSLGLFHSANTEALMYPLYNSFTELAQFRLSQDD
VNGIQSLYG
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 chain4ilw Chain D Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ilw Matrix Metalloproteinase-10/TIMP-2 Structure and Analyses Define Conserved Core Interactions and Diverse Exosite Interactions in MMP/TIMP Complexes.
Resolution2.103 Å
Binding residue
(original residue number in PDB)		D174 G175 G177 S179 D197 E200
Binding residue
(residue number reindexed from 1)		D70 G71 G73 S75 D93 E96
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H217 E218 H221 H227
Catalytic site (residue number reindexed from 1) H113 E114 H117 H123
Enzyme Commision number 3.4.24.22: stromelysin 2.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ilw, PDBe:4ilw, PDBj:4ilw
PDBsum4ilw
PubMed24073280
UniProtP09238|MMP10_HUMAN Stromelysin-2 (Gene Name=MMP10)

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