› 4utl

X-ray diffraction
1.23Å resolution

XenA - reduced - Y183F variant in complex with coumarin

Released:
DOI: 10.2210/pdb4utl/pdb
PDB entry 4utl coloured by chain, front view.
PDB entry 4utl coloured by chain, side view.
PDB entry 4utl 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

Reaction catalysed: 
NADPH + acceptor = NADP(+) + reduced acceptor
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-174908 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADH:flavin oxidoreductase/NADH oxidase N-terminal domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 365 amino acids
Theoretical weight: 40.09 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli
UniProt:
  • Canonical: Q3ZDM6 (Residues: 1-363; Coverage: 100%)
Gene name: xenA
Sequence domains: NADH:flavin oxidoreductase / NADH oxidase family
Structure domains: Aldolase class I

Ligands and Environments


Cofactor: Ligand FNR 1 x FNR
2 bound ligands:
Ligand COU 4 x COU
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY
Spacegroup: I222
Unit cell:
a: 57.812Å b: 83.525Å c: 157.331Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.121 0.121 0.142
Expression system: Escherichia coli

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