Structure of PDB 1bqq Chain M Binding Site BS01

Receptor Information

>1bqq Chain M (length=174) Species: 9606 (Homo sapiens)

IQGLKWQHNEITFCIQNYTPKVGEYATYEAIRKAFRVWESATPLRFREVP
YAYIREGHEKQADIMIFFAEGFHGDSTPFDGEGGFLAHAYFPGPNIGGDT
HFDSAEPWTVRNEDLNGNDIFLVAVHELGHALGLEHSSDPSAIMAPFYQW
MDTENFVLPDDDRRGIQQLYGGES

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: 1bqq Chain M Residue 288

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1bqq Crystal structure of the complex formed by the membrane type 1-matrix metalloproteinase with the tissue inhibitor of metalloproteinases-2, the soluble progelatinase A receptor.
• Resolution: 2.75 Å
• Binding residue (original residue number in PDB): D176 N208 G210
• Binding residue (residue number reindexed from 1): D63 N95 G97
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H239 H243 H249
• Catalytic site (residue number reindexed from 1): H126 H130 H136
• Enzyme Commision number: 3.4.24.80: membrane-type matrix metalloproteinase-1.

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:1bqq, PDBe:1bqq, PDBj:1bqq
• PDBsum: 1bqq
• PubMed: 9724659
• UniProt: P50281|MMP14_HUMAN Matrix metalloproteinase-14 (Gene Name=MMP14)