› 5j8d

X-ray diffraction
1.85Å resolution

Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide

Released:
DOI: 10.2210/pdb5j8d/pdb
PDB entry 5j8d coloured by chain, front view.
PDB entry 5j8d coloured by chain, side view.
PDB entry 5j8d coloured by chain, top view.
Source organism: Enterobacter cloacae
Primary publication:
Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Pitsawong W, Haynes CA, Koder RL, Rodgers DW, Miller AF
Structure 25 978-987.e4 (2017)
PMID: 28578873

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-169541 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Oxygen-insensitive NAD(P)H nitroreductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 216 amino acids
Theoretical weight: 23.85 KDa
Source organism: Enterobacter cloacae
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q01234 (Residues: 2-217; Coverage: 100%)
Gene names: nfnB, nfsB, nfsI
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments

2 bound ligands:
Ligand FMN 4 x FMN
Ligand DND 4 x DND
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 49.38Å b: 113.14Å c: 80.7Å
α: 90° β: 92.59° γ: 90°
R-values:
R R work R free
0.178 0.175 0.212
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 citation in other articles

The structures of E. coli NfsA bound to the antibiotic nitrofurantoin; to 1,4-benzoquinone and to FMN.
Day et al. (2021)
6 more

5 mentions without citation

Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode for Catalytically Competent Nitroreductase.
Pitsawong et al. (2017)
4 more