› 2gmv

X-ray diffraction
2.3Å resolution

PEPCK complex with a GTP-competitive inhibitor

Released:
DOI: 10.2210/pdb2gmv/pdb
PDB entry 2gmv coloured by chain, front view.
PDB entry 2gmv coloured by chain, side view.
PDB entry 2gmv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase.
Pietranico SL, Foley LH, Huby N, Yun W, Dunten P, Vermeulen J, Wang P, Toth K, Ramsey G, Gubler ML, Wertheimer SJ
Bioorg Med Chem Lett 17 3835-9 (2007)
PMID: 17532214

Function and Biology Details

Reaction catalysed: 
GTP + oxaloacetate = GDP + phosphoenolpyruvate + CO(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152943 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phosphoenolpyruvate carboxykinase, cytosolic [GTP] Chains: A, B
Molecule details ›
Chains: A, B
Length: 625 amino acids
Theoretical weight: 69.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35558 (Residues: 1-622; Coverage: 100%)
Gene names: PCK1, PEPCK1
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MN 2 x MN
Ligand PEP 2 x PEP
Ligand UN8 1 x UN8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: P21
Unit cell:
a: 128.011Å b: 66.134Å c: 137.36Å
α: 90° β: 145.09° γ: 90°
R-values:
R R work R free
0.217 0.217 0.287
Expression system: Escherichia coli

Quick links

Citations

2 review citations

PCK1 dysregulation in cancer: Metabolic reprogramming, oncogenic activation, and therapeutic opportunities.
Xiang et al. (2023)
1 more

1 mention without citation

Evaluation of the inhibitory potentials of selected compounds from Costus spicatus (Jacq.) rhizome towards enzymes associated with insulin resistance in polycystic ovarian syndrome: an in silico study.
Femi-Olabisi et al. (2021)