Structure of PDB 7xgj Chain B Binding Site BS06

Receptor Information
>7xgj Chain B (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFFPRKPKWDKNQITYRIIGYTPDLAPETVDDAFARAFQVWSDVTPLRFS
RIYDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDDD
ELWTLGKGVGYSLFLVAAHAFGHAMGLEHSQDPGALMAPIYTYTKNFRLS
QDDIKGIQELYGASP
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 B Residue 203 [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)		D77 G78 D80 L82 D100 E103
Binding residue
(residue number reindexed from 1)		D75 G76 D78 L80 D98 E101
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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