› 1qca

X-ray diffraction
2.2Å resolution

QUADRUPLE MUTANT Q92C, N146F, Y168F, I172V TYPE III CAT COMPLEXED WITH FUSIDIC ACID. CRYSTALS GROWN AT PH 6.3. X-RAY DATA COLLECTED AT ROOM TEMPERATURE

Released:
DOI: 10.2210/pdb1qca/pdb
PDB entry 1qca coloured by chain, front view.
PDB entry 1qca coloured by chain, side view.
PDB entry 1qca coloured by chain, top view.
Source organism: Shigella flexneri
Primary publication:
Steroid recognition by chloramphenicol acetyltransferase: engineering and structural analysis of a high affinity fusidic acid binding site.
Murray IA, Cann PA, Day PJ, Derrick JP, Sutcliffe MJ, Shaw WV, Leslie AG
J Mol Biol 254 993-1005 (1995)
PMID: 7500366

Function and Biology Details

Reaction catalysed: 
Acetyl-CoA + chloramphenicol = CoA + chloramphenicol 3-acetate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
homo trimer (preferred)
homo hexamer
Assembly name:
PDBe Complex ID:
PDB-CPX-132547 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chloramphenicol acetyltransferase 3 Chain: A
Molecule details ›
Chain: A
Length: 213 amino acids
Theoretical weight: 25 KDa
Source organism: Shigella flexneri
Expression system: Escherichia coli
UniProt:
  • Canonical: P00484 (Residues: 1-213; Coverage: 100%)
Gene name: cat3
Sequence domains: Chloramphenicol acetyltransferase
Structure domains: Chloramphenicol acetyltransferase-like domain

Ligands and Environments

2 bound ligands:
Ligand CO 2 x CO
Ligand FUA 1 x FUA
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: R32
Unit cell:
a: 107.81Å b: 107.81Å c: 124.13Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.174 not available not available
Expression system: Escherichia coli

Quick links

Citations

3 review citations

O-Acetyltransferases for chloramphenicol and other natural products.
Murray et al. (1997)
2 more

2 mentions without citation

Identification and validation of fusidic acid and flufenamic acid as inhibitors of SARS-CoV-2 replication using DrugSolver CavitomiX.
Hetmann et al. (2023)
1 more