PDBe 4pvd

X-ray diffraction
2.4Å resolution

Crystal structure of yeast methylglyoxal/isovaleraldehyde reductase Gre2 complexed with NADPH


Function and Biology Details

Reactions catalysed:
3-methylbutanol + NAD(P)(+) = 3-methylbutanal + NAD(P)H
(S)-lactaldehyde + NADP(+) = 2-oxopropanal + NADPH

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
NADPH-dependent methylglyoxal reductase GRE2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 342 amino acids
Theoretical weight: 38.22 KDa
Source organism: Saccharomyces cerevisiae S288C
Expression system: Escherichia coli
  • Canonical: Q12068 (Residues: 1-342; Coverage: 100%)
Gene names: GRE2, YOL151W
Sequence domains: 3-beta hydroxysteroid dehydrogenase/isomerase family
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

Cofactor: Ligand NDP 2 x NDP
No bound ligands

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P212121
Unit cell:
a: 90.309Å b: 92.891Å c: 201.094Å
α: 90° β: 90° γ: 90°
R R work R free
0.245 0.242 0.288
Expression system: Escherichia coli