› 3hyk

X-ray diffraction
2.31Å resolution

2.31 Angstrom resolution crystal structure of a holo-(acyl-carrier-protein) synthase from Bacillus anthracis str. Ames in complex with CoA (3',5'-ADP)

Released:
DOI: 10.2210/pdb3hyk/pdb
PDB entry 3hyk coloured by chain, front view.
PDB entry 3hyk coloured by chain, side view.
PDB entry 3hyk coloured by chain, top view.
Source organism: Bacillus anthracis
Primary publication:
Structural characterization and comparison of three acyl-carrier-protein synthases from pathogenic bacteria.
Halavaty AS, Kim Y, Minasov G, Shuvalova L, Dubrovska I, Winsor J, Zhou M, Onopriyenko O, Skarina T, Papazisi L, Kwon K, Peterson SN, Joachimiak A, Savchenko A, Anderson WF
Acta Crystallogr D Biol Crystallogr 68 1359-70 (2012)
PMID: 22993090

Function and Biology Details

Reaction catalysed: 
CoA-(4'-phosphopantetheine) + an apo-[acyl-carrier-protein] = adenosine 3',5'-bisphosphate + an [acyl-carrier-protein]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182551 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Holo-[acyl-carrier-protein] synthase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 122 amino acids
Theoretical weight: 13.53 KDa
Source organism: Bacillus anthracis
Expression system: Escherichia coli
UniProt:
  • Canonical: Q81JG3 (Residues: 1-119; Coverage: 100%)
Gene names: BAS0236, BA_0250, GBAA_0250, acpS
Sequence domains: 4'-phosphopantetheinyl transferase superfamily
Structure domains: 4'-phosphopantetheinyl transferase domain

Ligands and Environments

3 bound ligands:
Ligand MG 9 x MG
Ligand CL 6 x CL
Ligand A3P 6 x A3P
1 modified residue:
Ligand MSE 9 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P3221
Unit cell:
a: 77.526Å b: 77.526Å c: 122.965Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.193 0.19 0.247
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Mining Fatty Acid Biosynthesis for New Antimicrobials.
Radka et al. (2022)
2 other articles

4 mentions without citation

The phosphopantetheinyl transferases: catalysis of a post-translational modification crucial for life.
Beld et al. (2014)
3 more