Structure of PDB 2w0d Chain B Binding Site BS01

Receptor Information

>2w0d Chain B (length=158) Species: 9606 (Homo sapiens)

GPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTG
MADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTT
HSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDI
RGIQSLYG

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2w0d Chain B Residue 1264

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2w0d Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? a Case Study of Metalloproteinases.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H218 H222 H228
• Binding residue (residue number reindexed from 1): H113 H117 H123
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H218 A219 H222 H228
• Catalytic site (residue number reindexed from 1): H113 A114 H117 H123
• Enzyme Commision number: 3.4.24.65: macrophage elastase.

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:2w0d, PDBe:2w0d, PDBj:2w0d
• PDBsum: 2w0d
• PubMed: 19239231
• UniProt: P39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)