› 3i1u

X-ray diffraction
1.39Å resolution

Carboxypeptidase A Inhibited by a Thiirane Mechanism-Based inactivator

Released:
DOI: 10.2210/pdb3i1u/pdb
PDB entry 3i1u coloured by chain, front view.
PDB entry 3i1u coloured by chain, side view.
PDB entry 3i1u coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
The X-ray structure of carboxypeptidase A inhibited by a thiirane mechanism-based inhibitor.
Fernández D, Testero S, Vendrell J, Avilés FX, Mobashery S
Chem Biol Drug Des 75 29-34 (2010)
PMID: 19895506

Function and Biology Details

Reaction catalysed: 
Release of a C-terminal amino acid, but little or no action with -Asp, -Glu, -Arg, -Lys or -Pro.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133045 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carboxypeptidase A1 Chain: A
Molecule details ›
Chain: A
Length: 309 amino acids
Theoretical weight: 34.72 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00730 (Residues: 111-419; Coverage: 77%)
Gene names: CPA, CPA1
Sequence domains: Zinc carboxypeptidase
Structure domains: Zn peptidases

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand BTW 1 x BTW
Ligand GOL 7 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: P21
Unit cell:
a: 42.319Å b: 57.504Å c: 57.08Å
α: 90° β: 99.14° γ: 90°
R-values:
R R work R free
0.148 0.148 0.162

Quick links

Citations

1 review citation

Progress in metallocarboxypeptidases and their small molecular weight inhibitors.
Fernández et al. (2010)
3 other articles

3 mentions without citation

Protein-protein docking benchmark version 4.0.
Hwang et al. (2010)
2 more