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Structure paper

TitlePenam sulfones and beta-lactamase inhibition: SA2-13 and the importance of the C2 side chain length and composition.
Journal, issue, pagesPlos One, Vol. 9, Page e85892-e85892, Year 2014
Publish dateAug 19, 2013 (structure data deposition date)
AuthorsRodkey, E.A. / Winkler, M.L. / Bethel, C.R. / Pagadala, S.R. / Buynak, J.D. / Bonomo, R.A. / van den Akker, F.
External linksPlos One / PubMed:24454944
MethodsX-ray diffraction
Resolution1.22 - 1.54 Å
Structure data

PDB-4mbf:
Crystal structure of Penam sulfone PSR-4-157 bound to SHV-1 beta-lactamase
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-4mbh:
Penam sulfone PSR-3-226 bound to E166A variant of SHV-1 beta-lactamase
Method: X-RAY DIFFRACTION / Resolution: 1.22 Å

PDB-4mbk:
Crystal structure of K234R inhibitor-resistant variant of SHV beta-lactamase in complex with SA2-13
Method: X-RAY DIFFRACTION / Resolution: 1.46 Å

Chemicals

ChemComp-MA4:
CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE

ChemComp-2AW:
6-({(2R,3S)-3-carboxy-2-methyl-3-[(3-oxopropyl)amino]-2-sulfinopropyl}oxy)-6-oxohexanoic acid

ChemComp-HOH:
WATER

ChemComp-0RJ:
3-(formylamino)-L-alanine

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-SA2:
(3R)-4-[(4-CARBOXYBUTANOYL)OXY]-N-[(1E)-3-OXOPROP-1-EN-1-YL]-3-SULFINO-D-VALINE

Source
  • klebsiella pneumoniae (bacteria)
Keywordshydrolase/hydrolase inhibitor / Class A beta-lactamase / hydrolase / hydrolase-hydrolase inhibitor complex

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