Structure of PDB 966c Chain A Binding Site BS04

Receptor Information

>966c Chain A (length=157) Species: 9606 (Homo sapiens)

RWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQA
DIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNF
REYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQ
AIYGRSQ

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: 966c Chain A Residue 268

Receptor-Ligand Complex Structure

Structure summary

• PDB: 966c Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D158 G190 G192 D194
• Binding residue (residue number reindexed from 1): D51 G83 G85 D87
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H218 E219 H222 H228
• Catalytic site (residue number reindexed from 1): H111 E112 H115 H121
• Enzyme Commision number: 3.4.24.7: interstitial collagenase.

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:966c, PDBe:966c, PDBj:966c
• PDBsum: 966c
• PubMed: 10074939
• UniProt: P03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)