› 4aeo

X-ray diffraction
1.7Å resolution

Structure of Xenobiotic Reductase B from Pseudomonas putida in complex with TNT

Released:
DOI: 10.2210/pdb4aeo/pdb
PDB entry 4aeo coloured by chain, front view.
PDB entry 4aeo coloured by chain, side view.
PDB entry 4aeo coloured by chain, top view.
Source organism: Pseudomonas putida KT2440
Entry authors: Carvalho AL, Mukhopadhyay A, Romao MJ, Bursakov S, Kladova A, Ramos JL, van Dillewijn P

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-183507 (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: 362 amino acids
Theoretical weight: 39.37 KDa
Source organism: Pseudomonas putida KT2440
UniProt:
  • Canonical: Q88PD0 (Residues: 1-349; Coverage: 100%)
Gene names: PP_0920, xenB
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family
Structure domains: Aldolase class I

Ligands and Environments

4 bound ligands:
Ligand FMN 2 x FMN
Ligand GOL 1 x GOL
Ligand SO4 3 x SO4
Ligand TNL 2 x TNL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 67.18Å b: 105.32Å c: 106.8Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.172 0.205

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