› 3rnd

X-ray diffraction
1.4Å resolution

W116I-OYE1 complexed with 2-(Hydroxymethyl)-cyclopent-2-enone

Released:
DOI: 10.2210/pdb3rnd/pdb
PDB entry 3rnd coloured by chain, front view.
PDB entry 3rnd coloured by chain, side view.
PDB entry 3rnd coloured by chain, top view.
Source organism: Saccharomyces pastorianus
Primary publication:
Biocatalytic Reductions of Baylis-Hillman Adducts
Walton AZ, Conerly WC, Pompeu YA, Sullivan BT, Stewart JD
ACS Catalysis (2011)

Function and Biology Details

Reaction catalysed: 
NADPH + acceptor = NADP(+) + reduced acceptor
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169781 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADPH dehydrogenase 1 Chain: A
Molecule details ›
Chain: A
Length: 399 amino acids
Theoretical weight: 44.87 KDa
Source organism: Saccharomyces pastorianus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q02899 (Residues: 2-400; Coverage: 100%)
Gene name: OYE1
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family
Structure domains: Aldolase class I

Ligands and Environments


Cofactor: Ligand FMN 1 x FMN
2 bound ligands:
Ligand 3RN 1 x 3RN
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X25
Spacegroup: P43212
Unit cell:
a: 141.18Å b: 141.18Å c: 42.789Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.152 0.15 0.168
Expression system: Escherichia coli BL21(DE3)

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