› 4n3v

X-ray diffraction
1.89Å resolution

Crystal structure of a bile-acid 7-alpha dehydratase (CLOHIR_00079) from Clostridium hiranonis DSM 13275 at 1.89 A resolution with product added

Released:
DOI: 10.2210/pdb4n3v/pdb
PDB entry 4n3v coloured by chain, front view.
PDB entry 4n3v coloured by chain, side view.
PDB entry 4n3v coloured by chain, top view.
Source organism: [Clostridium] hiranonis DSM 13275
Entry author: Joint Center for Structural Genomics (JCSG)

Function and Biology Details

Reaction catalysed: 
7-alpha,12-alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA = 12-alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA + H(2)O
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193128 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
SnoaL-like domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 187 amino acids
Theoretical weight: 21.96 KDa
Source organism: [Clostridium] hiranonis DSM 13275
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9RB47 (Residues: 1-168; Coverage: 100%)
Gene names: CLOHIR_00079, baiE
Sequence domains: SnoaL-like domain
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

6 bound ligands:
Ligand ZN 2 x ZN
Ligand NA 2 x NA
Ligand CIT 2 x CIT
Ligand EDO 1 x EDO
Ligand 1PE 1 x 1PE
Ligand UNL 2 x UNL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: R32
Unit cell:
a: 84.282Å b: 84.282Å c: 311.823Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.189 0.188 0.218
Expression system: Escherichia coli

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