› 6tbx

X-ray diffraction
1.3Å resolution

Trypanosoma brucei PTR1 (TbPTR1) in complex with a tricyclic-based inhibitor

Released:
DOI: 10.2210/pdb6tbx/pdb
Model geometry
Fit model/data
PDB entry 6tbx coloured by chain, front view.
PDB entry 6tbx coloured by chain, side view.
PDB entry 6tbx coloured by chain, top view.
Source organism: Trypanosoma brucei brucei
Primary publication:
High-resolution crystal structure of Trypanosoma brucei pteridine reductase 1 in complex with an innovative tricyclic-based inhibitor.
Landi G, Linciano P, Tassone G, Costi MP, Mangani S, Pozzi C
Acta Crystallogr D Struct Biol 76 558-564 (2020)
PMID: 32496217

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131225 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Pteridine reductase Chains: A, B, D
Molecule details ›
Chains: A, B, D
Length: 288 amino acids
Theoretical weight: 30.67 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O76290 (Residues: 1-268; Coverage: 100%)
Gene name: PTR1
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Pteridine reductase Chain: C
Molecule details ›
Chain: C
Length: 288 amino acids
Theoretical weight: 30.69 KDa
Source organism: Trypanosoma brucei brucei
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O76290 (Residues: 1-268; Coverage: 100%)
Gene name: PTR1
Sequence domains: Enoyl-(Acyl carrier protein) reductase

Ligands and Environments

4 bound ligands:
Ligand NAP 4 x NAP
Ligand N0Z 4 x N0Z
Ligand ACT 2 x ACT
Ligand GOL 1 x GOL
1 modified residue:
Ligand CSX 1 x CSX

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P21
Unit cell:
a: 74.677Å b: 90.779Å c: 82.81Å
α: 90° β: 115.65° γ: 90°
R-values:
R R work R free
0.128 0.126 0.159
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Repurposing the Trypanosomatidic GSK Kinetobox for the Inhibition of Parasitic Pteridine and Dihydrofolate Reductases.
Santucci et al. (2021)

1 mention without citation

Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase.
Tassone et al. (2021)