› 4p4i

X-ray diffraction
1.87Å resolution

X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor T33

Released:
DOI: 10.2210/pdb4p4i/pdb
PDB entry 4p4i coloured by chain, front view.
PDB entry 4p4i coloured by chain, side view.
PDB entry 4p4i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Novakova Z, Cerny J, Choy CJ, Nedrow JR, Choi JK, Lubkowski J, Berkman CE, Barinka C
FEBS J 283 130-43 (2016)
PMID: 26460595

Function and Biology Details

Reaction catalysed: 
Release of an unsubstituted, C-terminal glutamyl residue, typically from Ac-Asp-Glu or folylpoly-gamma-glutamates.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170042 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (3 distinct):
Glutamate carboxypeptidase 2 Chain: A
Molecule details ›
Chain: A
Length: 707 amino acids
Theoretical weight: 79.61 KDa
Source organism: Homo sapiens
Expression system: Drosophila melanogaster
UniProt:
  • Canonical: Q04609 (Residues: 44-750; Coverage: 94%)
Gene names: FOLH, FOLH1, GIG27, NAALAD1, PSM, PSMA
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
5 bound ligands:
Ligand NAG 3 x NAG
Ligand ZN 2 x ZN
Ligand CA 1 x CA
Ligand CL 1 x CL
Ligand 2G5 1 x 2G5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: I222
Unit cell:
a: 102.309Å b: 130.458Å c: 159.661Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.152 0.152 0.17
Expression system: Drosophila melanogaster

Quick links

Citations

3 review citations

Toward the Discovery and Development of PSMA Targeted Inhibitors for Nuclear Medicine Applications.
Pastorino et al. (2020)
2 more

1 mention without citation

Design of composite inhibitors targeting glutamate carboxypeptidase II: the importance of effector functionalities.
Novakova et al. (2016)