› 3h7j

X-ray diffraction
1.87Å resolution

Crystal structure of BacB, an enzyme involved in Bacilysin synthesis, in monoclinic form

Released:
DOI: 10.2210/pdb3h7j/pdb
PDB entry 3h7j coloured by chain, front view.
PDB entry 3h7j coloured by chain, side view.
PDB entry 3h7j coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Role of Bacillus subtilis BacB in the synthesis of bacilysin.
Rajavel M, Mitra A, Gopal B
OpenAccess logo J Biol Chem 284 31882-92 (2009)
PMID: 19776011

Function and Biology Details

Reaction catalysed: 
3-((4R)-4-hydroxycyclohexa-1,5-dien-1-yl)-2-oxopropanoate = 3-((1E,4R)-4-hydroxycyclohex-2-en-1-ylidene)-2-oxopropanoate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153913 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
H2HPP isomerase Chains: A, B
Molecule details ›
Chains: A, B
Length: 243 amino acids
Theoretical weight: 27.95 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: P39639 (Residues: 1-235; Coverage: 100%)
Gene names: BSU37730, bacB, ipa-81d, ywfC
Sequence domains: Cupin domain
Structure domains: Jelly Rolls

Ligands and Environments

3 bound ligands:
Ligand CO 4 x CO
Ligand PPY 2 x PPY
Ligand FE 2 x FE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 45.99Å b: 118.493Å c: 46.926Å
α: 90° β: 97.92° γ: 90°
R-values:
R R work R free
0.187 0.185 0.227
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Enzymes for Detoxification of Various Mycotoxins: Origins and Mechanisms of Catalytic Action.
Lyagin et al. (2019)
3 more

4 mentions without citation

Divergence and convergence in enzyme evolution.
Galperin et al. (2012)
3 more