› 5jdi

X-ray diffraction
1.38Å resolution

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
Structure domains: NAD(P)-binding Rossmann-like Domain
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
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

3 bound ligands:
Ligand NAP 4 x NAP
Ligand ACT 3 x ACT
Ligand 6JO 3 x 6JO
1 modified residue:
Ligand CSX 1 x CSX

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 74.88Å b: 90.84Å c: 82.9Å
α: 90° β: 115.7° γ: 90°
R-values:
R R work R free
0.117 0.115 0.15
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

New Perspectives for Fisetin.
Grynkiewicz et al. (2019)
2 more

1 mention without citation

Sesquiterpene Lactones with Dual Inhibitory Activity against the Trypanosoma brucei Pteridine Reductase 1 and Dihydrofolate Reductase.
Possart et al. (2021)