› 7u9n

X-ray diffraction
2.2Å resolution

S48A Horse Liver Alcohol Dehydrogenase in Complex with NADH and N-Cyclohexylformamide

Released:
DOI: 10.2210/pdb7u9n/pdb
Model geometry
Fit model/data
PDB entry 7u9n coloured by chain, front view.
PDB entry 7u9n coloured by chain, side view.
PDB entry 7u9n coloured by chain, top view.
Source organism: Equus caballus
Primary publication:
Enhanced active-site electric field accelerates enzyme catalysis.
Zheng C, Ji Z, Mathews II, Boxer SG
Nat Chem (2023)
PMID: 37563323

Function and Biology Details

Reaction catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132405 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alcohol dehydrogenase E chain Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 377 amino acids
Theoretical weight: 40.02 KDa
Source organism: Equus caballus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00327 (Residues: 2-375; Coverage: 100%)
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAI 4 x NAI
2 bound ligands:
Ligand ZN 8 x ZN
Ligand CXF 4 x CXF
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P1
Unit cell:
a: 54.91Å b: 68.656Å c: 94.402Å
α: 89.65° β: 76° γ: 88.99°
R-values:
R R work R free
0.216 0.213 0.259
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Designed Local Electric Fields-Promising Tools for Enzyme Engineering.
Siddiqui et al. (2023)