› 1hdq

X-ray diffraction
2.3Å resolution

Crystal structure of bovine pancreatic carboxypeptidase A complexed with D-N-hydroxyaminocarbonyl phenylalanine at 2.3 A

Released:
DOI: 10.2210/pdb1hdq/pdb
PDB entry 1hdq coloured by chain, front view.
PDB entry 1hdq coloured by chain, side view.
PDB entry 1hdq coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Insight into the stereochemistry in the inhibition of carboxypeptidase A with N-(hydroxyaminocarbonyl)phenylalanine: binding modes of an enantiomeric pair of the inhibitor to carboxypeptidase A.
Cho JH, Kim DH, Chung SJ, Ha NC, Oh BH, Yong Choi K
Bioorg Med Chem 10 2015-22 (2002)
PMID: 11937361

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 domain:

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: 307 amino acids
Theoretical weight: 34.52 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 INF 1 x INF
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21
Unit cell:
a: 51.961Å b: 60.465Å c: 47.792Å
α: 90° β: 97.59° γ: 90°
R-values:
R R work R free
0.139 0.139 0.174

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Citations

1 review citation

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

5 mentions without citation

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.
Sauton et al. (2008)
4 more