Structure of PDB 7xgj Chain A Binding Site BS05

Receptor Information
>7xgj Chain A (length=168) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYNFFPRKPKWDKNQITYRIIGYTPDLAPETVDDAFARAFQVWSDVTPLR
FSRIYDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFD
DDELWTLGKGVGYSLFLVAAHAFGHAMGLEHSQDPGALMAPIYTYTKNFR
LSQDDIKGIQELYGASPD
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 chain7xgj Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xgj Discovery of Aryloxyphenyl-Heptapeptide Hybrids as Potent and Selective Matrix Metalloproteinase-2 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D60 G92 G94 D96
Binding residue
(residue number reindexed from 1)		D60 G92 G94 D96
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.24: gelatinase A.
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:7xgj, PDBe:7xgj, PDBj:7xgj
PDBsum7xgj
PubMed35687819
UniProtP08253|MMP2_HUMAN 72 kDa type IV collagenase (Gene Name=MMP2)

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