› 4hm0

X-ray diffraction
1.8Å resolution

Naphthalene 1,2-Dioxygenase bound to indole-3-acetate

Released:
DOI: 10.2210/pdb4hm0/pdb
PDB entry 4hm0 coloured by chain, front view.
PDB entry 4hm0 coloured by chain, side view.
PDB entry 4hm0 coloured by chain, top view.
Source organism: Pseudomonas sp. C18
Entry authors: Ferraro DJ, Ramaswamy S

Function and Biology Details

Reaction catalysed: 
Naphthalene + NADH + O(2) = (1R,2S)-1,2-dihydronaphthalene-1,2-diol + NAD(+)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140970 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Naphthalene 1,2-dioxygenase system, large oxygenase component Chain: A
Molecule details ›
Chain: A
Length: 449 amino acids
Theoretical weight: 49.66 KDa
Source organism: Pseudomonas sp. C18
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A111 (Residues: 1-449; Coverage: 100%)
Gene name: doxB
Sequence domains:
Structure domains:
Naphthalene 1,2-dioxygenase system, small oxygenase component Chain: B
Molecule details ›
Chain: B
Length: 194 amino acids
Theoretical weight: 22.97 KDa
Source organism: Pseudomonas sp. C18
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A113 (Residues: 1-194; Coverage: 100%)
Gene name: doxD
Sequence domains: Ring hydroxylating beta subunit
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

5 bound ligands:
Ligand EDO 15 x EDO
Ligand FE 1 x FE
Ligand IAC 1 x IAC
Ligand SO4 5 x SO4
Ligand FES 1 x FES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID, null
Spacegroup: R32
Unit cell:
a: 140.682Å b: 140.682Å c: 207.829Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.216 0.214 0.254
Expression system: Escherichia coli BL21(DE3)

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