Structure of PDB 2ovx Chain A Binding Site BS03

Receptor Information

>2ovx Chain A (length=159) Species: 9606 (Homo sapiens)

FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRV
YSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDEL
WSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKD
DVNGIRHLY

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: 2ovx Chain A Residue 446

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ovx Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D182 G183 D185 L187 D205 E208
• Binding residue (residue number reindexed from 1): D73 G74 D76 L78 D96 E99
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H401 Q402 H405 H411
• Catalytic site (residue number reindexed from 1): H117 Q118 H121 H127
• Enzyme Commision number: 3.4.24.35: gelatinase B.

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:2ovx, PDBe:2ovx, PDBj:2ovx
• PDBsum: 2ovx
• PubMed: 17599356
• UniProt: P14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)