› 3fob

X-ray diffraction
1.74Å resolution

Crystal structure of bromoperoxidase from Bacillus anthracis

Released:
DOI: 10.2210/pdb3fob/pdb
PDB entry 3fob coloured by chain, front view.
PDB entry 3fob coloured by chain, side view.
PDB entry 3fob coloured by chain, top view.
Source organism: Bacillus anthracis str. Ames
Entry authors: Osipiuk J, Gu M, Stam J, Anderson WF, Joachimiak A, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
RH + Cl(-) + H(2)O(2) = RCl + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-105718 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AB hydrolase-1 domain-containing protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 281 amino acids
Theoretical weight: 31.24 KDa
Source organism: Bacillus anthracis str. Ames
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A6L8NUA5 (Residues: 1-278; Coverage: 100%)
Gene name: GBAA_3165
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand CL 3 x CL
Ligand NA 2 x NA
1 modified residue:
Ligand MSE 6 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P21
Unit cell:
a: 77.037Å b: 48.326Å c: 101.932Å
α: 90° β: 94.05° γ: 90°
R-values:
R R work R free
0.165 0.164 0.195
Expression system: Escherichia coli

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