› 1sb3

X-ray diffraction
2.2Å resolution

Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica

Released:
DOI: 10.2210/pdb1sb3/pdb
PDB entry 1sb3 coloured by chain, front view.
PDB entry 1sb3 coloured by chain, side view.
PDB entry 1sb3 coloured by chain, top view.
Source organism: Thauera aromatica
Primary publication:
Structure of a xanthine oxidase-related 4-hydroxybenzoyl-CoA reductase with an additional [4Fe-4S] cluster and an inverted electron flow.
Unciuleac M, Warkentin E, Page CC, Boll M, Ermler U
Structure 12 2249-56 (2004)
PMID: 15576037

Function and Biology Details

Reaction catalysed: 
Benzoyl-CoA + oxidized ferredoxin + H(2)O = 4-hydroxybenzoyl-CoA + reduced ferredoxin
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128501 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
4-hydroxybenzoyl-CoA reductase subunit alpha Chains: A, D
Molecule details ›
Chains: A, D
Length: 769 amino acids
Theoretical weight: 82.38 KDa
Source organism: Thauera aromatica
UniProt:
  • Canonical: O33819 (Residues: 1-769; Coverage: 100%)
Gene name: hcrA
Sequence domains:
Structure domains:
4-hydroxybenzoyl-CoA reductase subunit beta Chains: B, E
Molecule details ›
Chains: B, E
Length: 324 amino acids
Theoretical weight: 34.42 KDa
Source organism: Thauera aromatica
UniProt:
  • Canonical: O33820 (Residues: 1-324; Coverage: 100%)
Gene name: hcrB
Sequence domains:
Structure domains: CO dehydrogenase flavoprotein, C-terminal domain
4-hydroxybenzoyl-CoA reductase subunit gamma Chains: C, F
Molecule details ›
Chains: C, F
Length: 161 amino acids
Theoretical weight: 17.2 KDa
Source organism: Thauera aromatica
UniProt:
  • Canonical: O33818 (Residues: 1-161; Coverage: 100%)
Gene name: hcrC
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand PCD 2 x PCD
Ligand EPE 1 x EPE
Ligand FAD 2 x FAD
Ligand SF4 2 x SF4
Ligand FES 4 x FES
Ligand SO4 2 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 116.62Å b: 150.2Å c: 175.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.171 0.205

Quick links

Citations

13 review citations

The mononuclear molybdenum enzymes.
Hille et al. (2014)
12 more

1 mention without citation

The leptospiral LipL21 and LipL41 proteins exhibit a broad spectrum of interactions with host cell components.
Takahashi et al. (2021)