› 2bp1

X-ray diffraction
2.4Å resolution

Structure of the aflatoxin aldehyde reductase in complex with NADPH

Released:
DOI: 10.2210/pdb2bp1/pdb
PDB entry 2bp1 coloured by chain, front view.
PDB entry 2bp1 coloured by chain, side view.
PDB entry 2bp1 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Debreczeni JE, Lukacik P, Kavanagh K, Dubinina E, Bray J, Colebrook S, Haroniti A, Edwards A, Arrowsmith C, Sundstrom M, von Delft F, Gileadi O, Oppermann U

Function and Biology Details

Reaction catalysed: 
4-hydroxybutanoate + NADP(+) = succinate semialdehyde + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128936 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aflatoxin B1 aldehyde reductase member 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 360 amino acids
Theoretical weight: 39.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O43488 (Residues: 1-359; Coverage: 100%)
Gene names: AFAR, AFAR1, AKR7, AKR7A2
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

2 bound ligands:
Ligand NDP 4 x NDP
Ligand FLC 4 x FLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P1
Unit cell:
a: 58.989Å b: 78.786Å c: 86.019Å
α: 88.72° β: 71.14° γ: 75.22°
R-values:
R R work R free
0.157 0.155 0.205
Expression system: Escherichia coli BL21

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