› 6q9k

X-ray diffraction
1.99Å resolution

Crystal structure of reduced Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M bound to NADH

Released:
DOI: 10.2210/pdb6q9k/pdb
PDB entry 6q9k coloured by chain, front view.
PDB entry 6q9k coloured by chain, side view.
PDB entry 6q9k coloured by chain, top view.
Source organism: Aquifex aeolicus VF5
Primary publication:
A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I.
Schulte M, Frick K, Gnandt E, Jurkovic S, Burschel S, Labatzke R, Aierstock K, Fiegen D, Wohlwend D, Gerhardt S, Einsle O, Friedrich T
Nat Commun 10 2551 (2019)
PMID: 31186428

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
hetero dimer (preferred)
hetero tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-130389 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
NADH-quinone oxidoreductase subunit E Chains: A, C
Molecule details ›
Chains: A, C
Length: 155 amino acids
Theoretical weight: 17.94 KDa
Source organism: Aquifex aeolicus VF5
Expression system: Escherichia coli
UniProt:
  • Canonical: O66842 (Residues: 6-160; Coverage: 97%)
Gene names: aq_574, nuoE
Sequence domains: Thioredoxin-like [2Fe-2S] ferredoxin
NADH-quinone oxidoreductase subunit F Chains: B, D
Molecule details ›
Chains: B, D
Length: 418 amino acids
Theoretical weight: 46.78 KDa
Source organism: Aquifex aeolicus VF5
Expression system: Escherichia coli
UniProt:
  • Canonical: O66841 (Residues: 2-419; Coverage: 98%)
Gene names: aq_573, nuoF
Sequence domains:

Ligands and Environments

7 bound ligands:
Ligand FES 2 x FES
Ligand SO4 5 x SO4
Ligand SF4 2 x SF4
Ligand FMN 2 x FMN
Ligand NAI 2 x NAI
Ligand GOL 4 x GOL
Ligand NA 5 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 63.38Å b: 115.94Å c: 189.97Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.219
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Mitochondrial iron-sulfur clusters: Structure, function, and an emerging role in vascular biology.
Read et al. (2021)
4 more

1 mention without citation

Heterocyclic Diaryliodonium-Based Inhibitors of Carbapenem-Resistant Acinetobacter baumannii.
Kumari et al. (2023)