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X-ray diffraction
3.31Å resolution

Crystal Structure of the Glycosyltransferase BaBshA bound with UDP and L-malate

Released:
DOI: 10.2210/pdb3mbo/pdb
PDB 3mbo coloured by chain and viewed from the front.
PDB 3mbo coloured by chain and viewed from the side.
PDB 3mbo coloured by chain and viewed from the top.
Source organism: Bacillus anthracis
Primary publication:
Characterization of the N-Acetyl-alpha-d-glucosaminyl l-Malate Synthase and Deacetylase Functions for Bacillithiol Biosynthesis in Bacillus anthracis
Parsonage D, Newton GL, Holder RC, Wallace BD, Paige C, Dos Santos PC, Redinbo MR, Fahey RC, Reid SD, Claiborne A
Biochemistry 49 8398- (2010)

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
N-acetyl-alpha-D-glucosaminyl L-malate synthase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 414 amino acids
Theoretical weight: 46.36 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81ST7 (Residues: 1-381; Coverage: 100%)
Gene names: BAS1445, BA_1558, BF27_423, GBAA_1558, TM00_07900, bshA
Sequence domains:
Structure domains: Glycogen Phosphorylase B;

Ligands and Environments

4 bound ligands:
Ligand UDP 4 x UDP
Ligand GOL 21 x GOL
Ligand MLT 4 x MLT
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P41
Unit cell:
a: 226.266Å b: 226.266Å c: 75.354Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.229 0.228 0.257
Expression system: Escherichia coli BL21(DE3)

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