› 3i4c

X-ray diffraction
2Å resolution

Crystal structure of Sulfolobus Solfataricus ADH(SsADH) double mutant (W95L,N249Y)

Released:
DOI: 10.2210/pdb3i4c/pdb
PDB entry 3i4c coloured by chain, front view.
PDB entry 3i4c coloured by chain, side view.
PDB entry 3i4c coloured by chain, top view.
Source organism: Saccharolobus solfataricus
Primary publication:
Role of tryptophan 95 in substrate specificity and structural stability of Sulfolobus solfataricus alcohol dehydrogenase.
Pennacchio A, Esposito L, Zagari A, Rossi M, Raia CA
Extremophiles 13 751-61 (2009)
PMID: 19588068

Function and Biology Details

Reaction catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
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-153888 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD-dependent alcohol dehydrogenase Chains: A, B, C, D, E, H
Molecule details ›
Chains: A, B, C, D, E, H
Length: 347 amino acids
Theoretical weight: 37.59 KDa
Source organism: Saccharolobus solfataricus
Expression system: Escherichia coli
UniProt:
  • Canonical: P39462 (Residues: 1-347; Coverage: 100%)
Gene names: SSO2536, adh
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand ZN 12 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: C2
Unit cell:
a: 215.729Å b: 91.545Å c: 118.368Å
α: 90° β: 99.2° γ: 90°
R-values:
R R work R free
0.228 0.228 0.25
Expression system: Escherichia coli

Quick links

Citations

9 citation in other articles

Reengineered carbonyl reductase for reducing methyl-substituted cyclohexanones.
Jakoblinnert et al. (2013)
8 more

1 mention without citation

Rapid catalytic template searching as an enzyme function prediction procedure.
Nilmeier et al. (2013)