› 1iy7

X-ray diffraction
2Å resolution

Crystal Structure of CPA and sulfamide-based inhibitor complex

Released:
DOI: 10.2210/pdb1iy7/pdb
PDB entry 1iy7 coloured by chain, front view.
PDB entry 1iy7 coloured by chain, side view.
PDB entry 1iy7 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Sulfamide-based inhibitors for carboxypeptidase A. Novel type transition state analogue inhibitors for zinc proteases.
Park JD, Kim DH, Kim SJ, Woo JR, Ryu SE
J Med Chem 45 5295-302 (2002)
PMID: 12431056

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: 34.44 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
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 1 x ZN
Ligand CXA 1 x CXA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P21
Unit cell:
a: 51.688Å b: 60.467Å c: 47.256Å
α: 90° β: 82.55° γ: 90°
R-values:
R R work R free
0.175 0.175 0.208
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Therapeutic potential of sulfamides as enzyme inhibitors.
Winum et al. (2006)
2 more

3 mentions without citation

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database.
Hawkins et al. (2010)
2 more