› 3qmn

X-ray diffraction
1.85Å resolution

Crystal Structure of 4'-Phosphopantetheinyl Transferase AcpS from Vibrio cholerae O1 biovar eltor

Released:
DOI: 10.2210/pdb3qmn/pdb
PDB entry 3qmn coloured by chain, front view.
PDB entry 3qmn coloured by chain, side view.
PDB entry 3qmn coloured by chain, top view.
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
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-192003 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Holo-[acyl-carrier-protein] synthase Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X
Length: 129 amino acids
Theoretical weight: 14.24 KDa
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9KPB6 (Residues: 1-126; Coverage: 100%)
Gene names: VC_2457, acpS
Sequence domains: 4'-phosphopantetheinyl transferase superfamily
Structure domains: 4'-phosphopantetheinyl transferase domain

Ligands and Environments

7 bound ligands:
Ligand COA 24 x COA
Ligand CL 9 x CL
Ligand CA 46 x CA
Ligand MPD 16 x MPD
Ligand ACT 8 x ACT
Ligand MRD 6 x MRD
Ligand A3P 1 x A3P
1 modified residue:
Ligand MSE 48 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 94.553Å b: 139.039Å c: 138.319Å
α: 90° β: 93.72° γ: 90°
R-values:
R R work R free
0.158 0.156 0.191
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

2 mentions without citation

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