› 4an0

X-ray diffraction
2.2Å resolution

PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN WITH A COVALENTLY BOUND INHIBITOR IC-3

Released:
DOI: 10.2210/pdb4an0/pdb
PDB entry 4an0 coloured by chain, front view.
PDB entry 4an0 coloured by chain, side view.
PDB entry 4an0 coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Molecular dynamics, crystallography and mutagenesis studies on the substrate gating mechanism of prolyl oligopeptidase.
Kaszuba K, Róg T, Danne R, Canning P, Fülöp V, Juhász T, Szeltner Z, St Pierre JF, García-Horsman A, Männistö PT, Karttunen M, Hokkanen J, Bunker A
Biochimie 94 1398-411 (2012)
PMID: 22484394

Function and Biology Details

Reaction catalysed: 
Hydrolysis of --Pro-|- and to a lesser extent --Ala-|- in oligopeptides.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prolyl endopeptidase Chain: A
Molecule details ›
Chain: A
Length: 710 amino acids
Theoretical weight: 80.86 KDa
Source organism: Sus scrofa
Expression system: Escherichia coli
UniProt:
  • Canonical: P23687 (Residues: 1-710; Coverage: 100%)
Gene name: PREP
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 2P6 1 x 2P6
Ligand GOL 4 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM16
Spacegroup: P212121
Unit cell:
a: 71.3Å b: 99.9Å c: 111.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.169 0.222
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Enzyme Tunnels and Gates As Relevant Targets in Drug Design.
Marques et al. (2017)
5 more

3 mentions without citation

A safety study of transumbilical single incision versus conventional laparoscopic surgery for colorectal cancer: study protocol for a randomized controlled trial.
Wang et al. (2015)
2 more