› 3of4

X-ray diffraction
1.9Å resolution

Crystal structure of a FMN/FAD- and NAD(P)H-dependent nitroreductase (nfnB, IL2077) from Idiomarina loihiensis L2TR at 1.90 A resolution

Released:
DOI: 10.2210/pdb3of4/pdb
PDB entry 3of4 coloured by chain, front view.
PDB entry 3of4 coloured by chain, side view.
PDB entry 3of4 coloured by chain, top view.
Source organism: Idiomarina loihiensis
Entry author: Joint Center for Structural Genomics (JCSG)

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177771 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitroreductase domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 209 amino acids
Theoretical weight: 23.52 KDa
Source organism: Idiomarina loihiensis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5R179 (Residues: 1-208; Coverage: 100%)
Gene names: IL2077, nfnB
Sequence domains: Nitroreductase family
Structure domains: NADH Oxidase

Ligands and Environments

6 bound ligands:
Ligand FMN 2 x FMN
Ligand UNL 2 x UNL
Ligand SO4 14 x SO4
Ligand GOL 16 x GOL
Ligand ACT 1 x ACT
Ligand FAD 1 x FAD
1 modified residue:
Ligand MSE 9 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: C2
Unit cell:
a: 154.702Å b: 74.051Å c: 64.565Å
α: 90° β: 112.49° γ: 90°
R-values:
R R work R free
0.159 0.157 0.194
Expression system: Escherichia coli

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