› 5nno

X-ray diffraction
2.5Å resolution

Structure of TbALDH3 complexed with NAD and AN3057 aldehyde

Released:
DOI: 10.2210/pdb5nno/pdb
Model geometry
Fit model/data
PDB entry 5nno coloured by chain, front view.
PDB entry 5nno coloured by chain, side view.
PDB entry 5nno coloured by chain, top view.
Source organism: Trypanosoma brucei
Primary publication:
Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
Zhang N, Zoltner M, Leung KF, Scullion P, Hutchinson S, Del Pino RC, Vincent IM, Zhang YK, Freund YR, Alley MRK, Jacobs RT, Read KD, Barrett MP, Horn D, Field MC
OpenAccess logo PLoS Pathog 14 e1006850 (2018)
PMID: 29425238

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-111901 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 546 amino acids
Theoretical weight: 59.96 KDa
Source organism: Trypanosoma brucei
Expression system: Escherichia coli
UniProt:
  • Canonical: C9ZQX6 (Residues: 2-543; Coverage: 100%)
Gene name: TbgDal_VI2840
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NAD 2 x NAD
Ligand 92N 2 x 92N
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 89.168Å b: 62.524Å c: 92.974Å
α: 90° β: 100.08° γ: 90°
R-values:
R R work R free
0.236 0.234 0.278
Expression system: Escherichia coli

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Citations

3 review citations

New Drugs for Human African Trypanosomiasis: A Twenty First Century Success Story.
Dickie et al. (2020)
2 more

2 mentions without citation

Host-parasite co-metabolic activation of antitrypanosomal aminomethyl-benzoxaboroles.
Zhang et al. (2018)
1 more