› 3ek3

X-ray diffraction
1.7Å resolution

Crystal structure of Nitroreductase with Bound FMN (YP_211706.1) from Bacteroides fragilis NCTC 9343 at 1.70 A resolution

Released:
DOI: 10.2210/pdb3ek3/pdb
PDB entry 3ek3 coloured by chain, front view.
PDB entry 3ek3 coloured by chain, side view.
PDB entry 3ek3 coloured by chain, top view.
Source organism: Bacteroides fragilis NCTC 9343
Entry author: Joint Center for Structural Genomics (JCSG)

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-177475 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitroreductase domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 190 amino acids
Theoretical weight: 21.28 KDa
Source organism: Bacteroides fragilis NCTC 9343
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5LDN3 (Residues: 1-189; Coverage: 100%)
Gene name: BF9343_1994
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments

3 bound ligands:
Ligand FMN 1 x FMN
Ligand UNL 1 x UNL
Ligand MPD 3 x MPD
1 modified residue:
Ligand MSE 4 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: C2221
Unit cell:
a: 40.61Å b: 83.73Å c: 116.51Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.152 0.15 0.183
Expression system: Escherichia coli

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