› 4pvd

X-ray diffraction
2.4Å resolution

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

Released:
DOI: 10.2210/pdb4pvd/pdb
PDB entry 4pvd coloured by chain, front view.
PDB entry 4pvd coloured by chain, side view.
PDB entry 4pvd coloured by chain, top view.
Source organism: Saccharomyces cerevisiae S288C
Primary publication:
Structural insights into the cofactor-assisted substrate recognition of yeast methylglyoxal/isovaleraldehyde reductase Gre2.
Guo PC, Bao ZZ, Ma XX, Xia Q, Li WF
Biochim Biophys Acta 1844 1486-92 (2014)
PMID: 24879127

Function and Biology Details

Reactions catalysed: 
3-methylbutanol + NAD(P)(+) = 3-methylbutanal + NAD(P)H
(S)-lactaldehyde + NADP(+) = 2-oxopropanal + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171287 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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
UniProt:
  • 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-values:
R R work R free
0.245 0.242 0.288
Expression system: Escherichia coli

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Citations

1 review citation

Functions of aldehyde reductases from Saccharomyces cerevisiae in detoxification of aldehyde inhibitors and their biotechnological applications.
Wang et al. (2018)
4 other articles

3 mentions without citation

DogCatcher allows loop-friendly protein-protein ligation.
Keeble et al. (2022)
2 more