› 5wj6

X-ray diffraction
2.44Å resolution

Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)

Released:
DOI: 10.2210/pdb5wj6/pdb
PDB 5wj6 coloured by chain and viewed from the front.
PDB 5wj6 coloured by chain and viewed from the side.
PDB 5wj6 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
Huang Q, Stalnecker C, Zhang C, McDermott LA, Iyer P, O'Neill J, Reimer S, Cerione RA, Katt WP
J. Biol. Chem. (2018)
PMID: 29317493

Function and Biology Details

Reaction catalysed: 
L-glutamine + H(2)O = L-glutamate + NH(3)
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Glutaminase kidney isoform, mitochondrial 65 kDa chain Chains: A, C, D
Molecule details ›
Chains: A, C, D
Length: 539 amino acids
Theoretical weight: 59.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O94925 (Residues: 72-550; Coverage: 72%)
  • Best match: O94925-3 (Residues: 72-598)
Gene names: GLS, GLS1, KIAA0838
Sequence domains:
Glutaminase kidney isoform, mitochondrial 65 kDa chain Chain: B
Molecule details ›
Chain: B
Length: 539 amino acids
Theoretical weight: 59.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O94925 (Residues: 72-550; Coverage: 72%)
  • Best match: O94925-3 (Residues: 72-598)
Gene names: GLS, GLS1, KIAA0838
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand B4A 2 x B4A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P212121
Unit cell:
a: 97.652Å b: 138.01Å c: 175.769Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.18 0.223
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Regulation of Ferroptosis by Amino Acid Metabolism in Cancer.
Yang et al. (2022)
11 more