› 7e8p

X-ray diffraction
2.3Å resolution

Crystal structure of a Flavin-dependent Monooxygenase HadA wild type complexed with reduced FAD and 4-nitrophenol

Released:
DOI: 10.2210/pdb7e8p/pdb
Model geometry
Fit model/data
PDB entry 7e8p coloured by chain, front view.
PDB entry 7e8p coloured by chain, side view.
PDB entry 7e8p coloured by chain, top view.
Source organism: Ralstonia pickettii DTP0602
Primary publication:
Structural insights into a flavin-dependent dehalogenase HadA explain catalysis and substrate inhibition via quadruple π-stacking.
Pimviriyakul P, Jaruwat A, Chitnumsub P, Chaiyen P
OpenAccess logo J Biol Chem 297 100952 (2021)
PMID: 34252455

Function and Biology Details

Reaction catalysed: 
4-hydroxyphenylacetate + FADH(2) + O(2) = 3,4-dihydroxyphenylacetate + FAD + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176038 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chlorophenol monooxygenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 517 amino acids
Theoretical weight: 58.62 KDa
Source organism: Ralstonia pickettii DTP0602
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q53008 (Residues: 1-517; Coverage: 100%)
Gene name: hadA
Sequence domains:

Ligands and Environments


Cofactor: Ligand FDA 4 x FDA
1 bound ligand:
Ligand NPO 3 x NPO
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: BRUKER TURBO X-RAY SOURCE
Spacegroup: P212121
Unit cell:
a: 97.817Å b: 161.855Å c: 168.647Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.211 0.265
Expression system: Escherichia coli BL21(DE3)

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Citations

2 mentions without citation

Unifying and versatile features of flavin-dependent monooxygenases: Diverse catalysis by a common C4a-(hydro)peroxyflavin.
Phintha et al. (2023)
1 more