› 5bre

X-ray diffraction
2.5Å resolution

Crystal structure of Trypanosoma cruzi glucokinase in complex with inhibitor CBZ-GlcN

Released:
DOI: 10.2210/pdb5bre/pdb
PDB entry 5bre coloured by chain, front view.
PDB entry 5bre coloured by chain, side view.
PDB entry 5bre coloured by chain, top view.
Source organism: Trypanosoma cruzi strain CL Brener
Primary publication:
Structure-based approach to the identification of a novel group of selective glucosamine analogue inhibitors of Trypanosoma cruzi glucokinase.
D'Antonio EL, Deinema MS, Kearns SP, Frey TA, Tanghe S, Perry K, Roy TA, Gracz HS, Rodriguez A, D'Antonio J
Mol Biochem Parasitol 204 64-76 (2015)
PMID: 26778112

Function and Biology Details

Reaction catalysed: 
ATP + D-glucose = ADP + D-glucose 6-phosphate
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-559805 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Glucokinase 1, putative Chains: A, B
Molecule details ›
Chains: A, B
Length: 381 amino acids
Theoretical weight: 42.23 KDa
Source organism: Trypanosoma cruzi strain CL Brener
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q4E4E1 (Residues: 1-367; Coverage: 98%)
Gene name: Tc00.1047053510187.100
Sequence domains: Glucokinase
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 4UZ 2 x 4UZ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-E
Spacegroup: P21
Unit cell:
a: 68.673Å b: 79.047Å c: 76.445Å
α: 90° β: 94.74° γ: 90°
R-values:
R R work R free
0.192 0.19 0.23
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Carbonic anhydrases from Trypanosoma and Leishmania as anti-protozoan drug targets.
Vermelho et al. (2017)
4 other articles

2 mentions without citation

Enzymatic and Structural Characterization of the Naegleria fowleri Glucokinase.
Milanes et al. (2019)
1 more