› 2w13

X-ray diffraction
1.14Å resolution

High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in complex with a peptidomimetic: insights into inhibitor binding

Released:
DOI: 10.2210/pdb2w13/pdb
PDB entry 2w13 coloured by chain, front view.
PDB entry 2w13 coloured by chain, side view.
PDB entry 2w13 coloured by chain, top view.
Source organism: Bothrops asper
Primary publication:
High-resolution crystal structure of the snake venom metalloproteinase BaP1 complexed with a peptidomimetic: insight into inhibitor binding.
Lingott T, Schleberger C, Gutiérrez JM, Merfort I
Biochemistry 48 6166-74 (2009)
PMID: 19485419

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160702 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Snake venom metalloproteinase BaP1 Chain: A
Molecule details ›
Chain: A
Length: 202 amino acids
Theoretical weight: 22.77 KDa
Source organism: Bothrops asper
UniProt:
  • Canonical: P83512 (Residues: 193-394; Coverage: 52%)
Sequence domains: Reprolysin (M12B) family zinc metalloprotease
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand ZN 1 x ZN
Ligand WR2 1 x WR2
Ligand GOL 2 x GOL
Ligand ACT 2 x ACT
1 modified residue:
Ligand PCA 1 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 38.1Å b: 59.6Å c: 82.7Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.131 0.13 0.16

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Citations

9 review citations

Enzymatic toxins from snake venom: structural characterization and mechanism of catalysis.
Kang et al. (2011)
8 more