Structure of PDB 2ow2 Chain A Binding Site BS05

Receptor Information

>2ow2 Chain A (length=156) Species: 9606 (Homo sapiens)

DLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRVYSR
DADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDELWSL
GKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKDDVN
GIRHLY

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: 2ow2 Chain A Residue 448

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ow2 Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): S211 L212 K214 G215 Q391
• Binding residue (residue number reindexed from 1): S99 L100 K102 G103 Q104
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H401 Q402 H405 H411
• Catalytic site (residue number reindexed from 1): H114 Q115 H118 H124
• 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:2ow2, PDBe:2ow2, PDBj:2ow2
• PDBsum: 2ow2
• PubMed: 17599356
• UniProt: P14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)