› 3trg

X-ray diffraction
1.6Å resolution

Structure of an acylphosphatase from Coxiella burnetii

Released:
DOI: 10.2210/pdb3trg/pdb
PDB entry 3trg coloured by chain, front view.
PDB entry 3trg coloured by chain, side view.
PDB entry 3trg coloured by chain, top view.
Source organism: Coxiella burnetii RSA 493
Primary publication:
Structural genomics for drug design against the pathogen Coxiella burnetii.
Franklin MC, Cheung J, Rudolph MJ, Burshteyn F, Cassidy M, Gary E, Hillerich B, Yao ZK, Carlier PR, Totrov M, Love JD
Proteins 83 2124-36 (2015)
PMID: 26033498

Function and Biology Details

Reaction catalysed: 
An acylphosphate + H(2)O = a carboxylate + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182894 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acylphosphatase Chain: A
Molecule details ›
Chain: A
Length: 98 amino acids
Theoretical weight: 11.29 KDa
Source organism: Coxiella burnetii RSA 493
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q83AB0 (Residues: 1-95; Coverage: 100%)
Gene names: CBU_1995, acyP
Sequence domains: Acylphosphatase
Structure domains: Alpha-Beta Plaits

Ligands and Environments

2 bound ligands:
Ligand CL 1 x CL
Ligand EDO 1 x EDO
1 modified residue:
Ligand MSE 2 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P64
Unit cell:
a: 69.71Å b: 69.71Å c: 40.059Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.172 0.189
Expression system: Escherichia coli BL21(DE3)

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Citations

4 review citations

Laccases of prokaryotic origin: enzymes at the interface of protein science and protein technology.
Martins et al. (2015)
3 more

3 mentions without citation

Docking simulation and ADMET prediction based investigation on the phytochemical constituents of Noni (Morinda citrifolia) fruit as a potential anticancer drug.
Chandran et al. (2022)
2 more