› 5lni

X-ray diffraction
1.13Å resolution

XenA - oxidized - Y183F variant in complex with 7-hydroxycoumarin

Released:
DOI: 10.2210/pdb5lni/pdb
PDB entry 5lni coloured by chain, front view.
PDB entry 5lni coloured by chain, side view.
PDB entry 5lni coloured by chain, top view.
Source organism: Pseudomonas putida
Primary publication:
Redox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Werther T, Wahlefeld S, Salewski J, Kuhlmann U, Zebger I, Hildebrandt P, Dobbek H
Nat Commun 8 16084- (2017)

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-103859 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADH:flavin oxidoreductase Chain: A
Molecule details ›
Chain: A
Length: 359 amino acids
Theoretical weight: 39.29 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A1X0ZT96 (Residues: 2-360; Coverage: 99%)
Gene name: BGP82_19430
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family
Structure domains: Aldolase class I

Ligands and Environments

4 bound ligands:
Ligand FMN 1 x FMN
Ligand 07L 2 x 07L
Ligand SO4 4 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: I222
Unit cell:
a: 57.76Å b: 83.41Å c: 156.91Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.118 0.118 0.14
Expression system: Escherichia coli

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