› 5om9

X-ray diffraction
1.8Å resolution

Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with a thiirane mechanism-based inhibitor

Released:
DOI: 10.2210/pdb5om9/pdb
PDB entry 5om9 coloured by chain, front view.
PDB entry 5om9 coloured by chain, side view.
PDB entry 5om9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.
Testero SA, Granados C, Fernández D, Gallego P, Covaleda G, Reverter D, Vendrell J, Avilés FX, Pallarès I, Mobashery S
ACS Med Chem Lett 8 1122-1127 (2017)
PMID: 29057062

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carboxypeptidase A1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 419 amino acids
Theoretical weight: 47.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P15085 (Residues: 1-419; Coverage: 100%)
Gene names: CPA, CPA1
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand O2S 2 x O2S
Ligand ZN 3 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P21
Unit cell:
a: 53.901Å b: 52.544Å c: 133.984Å
α: 90° β: 94.84° γ: 90°
R-values:
R R work R free
0.157 0.154 0.212
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Transition metal ions and neurotransmitters: coordination chemistry and implications for neurodegeneration.
Yoo et al. (2023)
2 other articles

2 mentions without citation

Discovery of Mechanism-Based Inactivators for Human Pancreatic Carboxypeptidase A from a Focused Synthetic Library.
Testero et al. (2017)
1 more