› 4tim

X-ray diffraction
2.4Å resolution

CRYSTALLOGRAPHIC AND MOLECULAR MODELING STUDIES ON TRYPANOSOMAL TRIOSEPHOSPHATE ISOMERASE: A CRITICAL ASSESSMENT OF THE PREDICTED AND OBSERVED STRUCTURES OF THE COMPLEX WITH 2-PHOSPHOGLYCERATE

Released:
DOI: 10.2210/pdb4tim/pdb
PDB entry 4tim coloured by chain, front view.
PDB entry 4tim coloured by chain, side view.
PDB entry 4tim coloured by chain, top view.
Source organism: Trypanosoma brucei brucei
Primary publication:
Crystallographic and molecular modeling studies on trypanosomal triosephosphate isomerase: a critical assessment of the predicted and observed structures of the complex with 2-phosphoglycerate.
Noble ME, Verlinde CL, Groendijk H, Kalk KH, Wierenga RK, Hol WG
J Med Chem 34 2709-18 (1991)
PMID: 1895291

Function and Biology Details

Reaction catalysed: 
D-glyceraldehyde 3-phosphate = glycerone phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-528802 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Triosephosphate isomerase, glycosomal Chains: A, B
Molecule details ›
Chains: A, B
Length: 250 amino acids
Theoretical weight: 26.87 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Not provided
UniProt:
  • Canonical: P04789 (Residues: 1-250; Coverage: 100%)
Sequence domains: Triosephosphate isomerase
Structure domains: Aldolase class I

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 112.59Å b: 97.29Å c: 46.7Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 not available not available
Expression system: Not provided

Quick links

Citations

2 review citations

Protein crystallography and infectious diseases.
Verlinde et al. (1994)
1 more

10 mentions without citation

The Potential of Secondary Metabolites from Plants as Drugs or Leads against Protozoan Neglected Diseases-Part III: In-Silico Molecular Docking Investigations.
Ogungbe et al. (2016)
9 more