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TitleAn Experimental Toolbox for Structure-Based Hit Discovery for P. aeruginosa FabF, a Promising Target for Antibiotics.
Journal, issue, pagesChemmedchem, Vol. 16, Page 2715-2726, Year 2021
Publish dateApr 25, 2021 (structure data deposition date)
AuthorsEspeland, L.O. / Georgiou, C. / Klein, R. / Bhukya, H. / Haug, B.E. / Underhaug, J. / Mainkar, P.S. / Brenk, R.
External linksChemmedchem / PubMed:34189850
MethodsX-ray diffraction
Resolution1.78 - 1.8 Å
Structure data

PDB-7oc0:
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with a ligand (2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

PDB-7oc1:
Structure of Pseudomonas aeruginosa FabF mutant C164Q in complex with Platensimycin
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-V7W:
(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-PMN:
PLATENSIMYCIN / antibiotic*YM

ChemComp-K:
Unknown entry

ChemComp-GOL:
GLYCEROL

Source
  • pseudomonas aeruginosa pao1 (bacteria)
  • pseudomonas aeruginosa (bacteria)
KeywordsANTIBIOTIC / Inhibitor / Fatty acid biosynthesis pathway

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