› 3fx6

X-ray diffraction
1.85Å resolution

X-RAY crystallographic studies on the complex of carboxypeptidase A with the inhibitor using alpha-nitro ketone as the zinc-binding group

Released:
DOI: 10.2210/pdb3fx6/pdb
PDB entry 3fx6 coloured by chain, front view.
PDB entry 3fx6 coloured by chain, side view.
PDB entry 3fx6 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A.
Wang SF, Tian GR, Zhang WZ, Jin JY
Bioorg Med Chem Lett 19 5009-11 (2009)
PMID: 19646864

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

Assemblies composition:
homo trimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133045 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carboxypeptidase A1 Chains: A, C, E
Molecule details ›
Chains: A, C, E
Length: 307 amino acids
Theoretical weight: 34.5 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P00730 (Residues: 111-417; Coverage: 76%)
Gene names: CPA, CPA1
Sequence domains: Zinc carboxypeptidase
Structure domains: Zn peptidases

Ligands and Environments

2 bound ligands:
Ligand ZN 3 x ZN
Ligand BPX 3 x BPX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 73.356Å b: 59.752Å c: 99.514Å
α: 90° β: 104.04° γ: 90°
R-values:
R R work R free
0.207 0.207 0.239

Quick links

Citations

1 review citation

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

2 mentions without citation

Palliative radiotherapy indications during the COVID-19 pandemic and in future complex logistic settings: the NORMALITY model.
Cellini et al. (2021)
1 more