Structure of PDB 3ayu Chain A Binding Site BS04

Receptor Information

>3ayu Chain A (length=166) Species: 9606 (Homo sapiens)

YNFFPRKPKWDKNQITYRIIGYTPDLDPETVDDAFARAFQVWSDVTPLRF
SRIHDGEADIMINFGRWEHGDGYPFDGKDGLLAHAFAPGTGVGGDSHFDD
DELWTLGKGVGYSLFLVAAHAFGHAMGLEHSQDPGALMAPIYTYTKNFRL
SQDDIKGIQELYGASP

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3ayu Chain A Residue 417

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ayu Structural basis for matrix metalloproteinase-2 (MMP-2)-selective inhibitory action of {beta}-amyloid precursor protein-derived inhibitor
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D76 G77 D79 L81 D99 E102
• Binding residue (residue number reindexed from 1): D76 G77 D79 L81 D99 E102
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H120 A121 H124 H130
• Catalytic site (residue number reindexed from 1): H120 A121 H124 H130
• 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

External links

• PDB: RCSB:3ayu, PDBe:3ayu, PDBj:3ayu
• PDBsum: 3ayu
• PubMed: 21813640
• UniProt: P08253|MMP2_HUMAN 72 kDa type IV collagenase (Gene Name=MMP2)