› 3aig

X-ray diffraction
2.8Å resolution

ADAMALYSIN II WITH PEPTIDOMIMETIC INHIBITOR POL656

Released:
DOI: 10.2210/pdb3aig/pdb
PDB entry 3aig coloured by chain, front view.
PDB entry 3aig coloured by chain, side view.
PDB entry 3aig coloured by chain, top view.
Source organism: Crotalus adamanteus
Primary publication:
Structures of adamalysin II with peptidic inhibitors. Implications for the design of tumor necrosis factor alpha convertase inhibitors.
Gomis-Rüth FX, Meyer EF, Kress LF, Politi V
Protein Sci 7 283-92 (1998)
PMID: 9521103

Function and Biology Details

Reaction catalysed: 
Cleavage of 1-Phe-|-Val-2, 5-His-|-Leu-6, 14-Ala-|-Leu-15, 15-Leu-|-Tyr-16, and 16-Tyr-|-Leu-17 of insulin B chain.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152695 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Snake venom metalloproteinase adamalysin-2 Chain: A
Molecule details ›
Chain: A
Length: 202 amino acids
Theoretical weight: 23.15 KDa
Source organism: Crotalus adamanteus
UniProt:
  • Canonical: P34179 (Residues: 2-203; Coverage: 100%)
Sequence domains: Reprolysin (M12B) family zinc metalloprotease
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand CA 1 x CA
Ligand SO4 1 x SO4
Ligand 0ZC 1 x 0ZC
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P3212
Unit cell:
a: 73.55Å b: 73.55Å c: 96.67Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.194 not available

Quick links

Citations

3 review citations

Structural aspects of the metzincin clan of metalloendopeptidases.
Gomis-Rüth FX. (2003)
2 more

1 mention without citation

Structure-Based Discovery of Thiosemicarbazone Metalloproteinase Inhibitors for Hemorrhage Treatment in Snakebites.
Ferreira et al. (2017)