› 3kft

X-ray diffraction
2.1Å resolution

Crystal structure of Pentaerythritol Tetranitrate Reductase complex with 1,4,5,6-tetrahydro NADH

Released:
DOI: 10.2210/pdb3kft/pdb
PDB entry 3kft coloured by chain, front view.
PDB entry 3kft coloured by chain, side view.
PDB entry 3kft coloured by chain, top view.
Source organism: Enterobacter cloacae
Primary publication:
Evidence to support the hypothesis that promoting vibrations enhance the rate of an enzyme catalyzed H-tunneling reaction.
Pudney CR, Hay S, Levy C, Pang J, Sutcliffe MJ, Leys D, Scrutton NS
J Am Chem Soc 131 17072-3 (2009)
PMID: 19891489

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159784 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADH:flavin oxidoreductase/NADH oxidase N-terminal domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 364 amino acids
Theoretical weight: 39.4 KDa
Source organism: Enterobacter cloacae
Expression system: Escherichia coli
UniProt:
  • Canonical: P71278 (Residues: 2-365; Coverage: 100%)
Gene name: onr
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family
Structure domains: Aldolase class I

Ligands and Environments

2 bound ligands:
Ligand FMN 2 x FMN
Ligand NAD 2 x NAD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P65
Unit cell:
a: 57.15Å b: 57.15Å c: 410.85Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.166 0.163 0.223
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Enzyme dynamics point to stepwise conformational selection in catalysis.
Ma et al. (2010)
4 more

7 mentions without citation

Does the pressure dependence of kinetic isotope effects report usefully on dynamics in enzyme H-transfer reactions?
Hoeven et al. (2015)
6 more