› 6ihi

X-ray diffraction
1.78Å resolution

Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O

Released:
DOI: 10.2210/pdb6ihi/pdb
PDB entry 6ihi coloured by chain, front view.
PDB entry 6ihi coloured by chain, side view.
PDB entry 6ihi coloured by chain, top view.
Source organism: Ralstonia sp.
Primary publication:
Efficient reductive desymmetrization of bulky 1,3-cyclodiketones enabled by structure-guided directed evolution of a carbonyl reductase.
Chen X, Zhang HL, Ma MS, Liu W, Li J, Feng J, Liu X, Osuna S, Guo RT, Wu Q, Zhu D, Ma Y
Nat Catal 2 931-941 (2019)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alclohol dehydrogenase/short-chain dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 249 amino acids
Theoretical weight: 26.65 KDa
Source organism: Ralstonia sp.
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: C0IR58 (Residues: 1-249; Coverage: 100%)
Sequence domains: Enoyl-(Acyl carrier protein) reductase

Ligands and Environments

2 bound ligands:
Ligand NAP 3 x NAP
Ligand A6O 2 x A6O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE BL15A1
Spacegroup: P61
Unit cell:
a: 69.075Å b: 69.075Å c: 388.987Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.185 0.214
Expression system: Escherichia coli BL21(DE3)

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