› 2clp

X-ray diffraction
3Å resolution

Crystal structure of human aflatoxin B1 aldehyde reductase member 3

Released:
DOI: 10.2210/pdb2clp/pdb
PDB entry 2clp coloured by chain, front view.
PDB entry 2clp coloured by chain, side view.
PDB entry 2clp coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Debreczeni JE, Marsden BD, Johansson C, Kavanagh K, Guo K, Smee C, Gileadi O, Turnbull A, Papagrigoriou E, von Delft F, Edwards A, Arrowsmith C, Weigelt J, Sundstrom M, Oppermann U

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-131830 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aflatoxin B1 aldehyde reductase member 3 Chains: A, B, C, D, E, F, G, H, I, J, K
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K
Length: 347 amino acids
Theoretical weight: 39.05 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O95154 (Residues: 6-331; Coverage: 99%)
Gene names: AFAR2, AKR7A3
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments

2 bound ligands:
Ligand NDP 11 x NDP
Ligand CA 4 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X10SA
Spacegroup: P3221
Unit cell:
a: 126.963Å b: 126.963Å c: 490.497Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.24 0.239 0.253
Expression system: Escherichia coli BL21(DE3)

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