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Structure paper

TitlePredicting resistance mutations using protein design algorithms.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 107, Page 13707-13712, Year 2010
Publish dateOct 25, 2008 (structure data deposition date)
AuthorsFrey, K.M. / Georgiev, I. / Donald, B.R. / Anderson, A.C.
External linksProc. Natl. Acad. Sci. USA / PubMed:20643959
MethodsX-ray diffraction
Resolution2.08 - 3.15 Å
Structure data

PDB-3f0q:
Staphylococcus aureus dihydrofolate reductase complexed with NADPH and 2,4-Diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-3lg4:
Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
Method: X-RAY DIFFRACTION / Resolution: 3.15 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-52V:
5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

ChemComp-HOH:
WATER

Source
  • staphylococcus aureus rf122 (bacteria)
  • staphylococcus aureus (bacteria)
KeywordsOXIDOREDUCTASE / NADP / One-carbon metabolism

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