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Structure paper

TitleStructures of SHV-1 beta-lactamase with penem and penam sulfone inhibitors that form cyclic intermediates stabilized by carbonyl conjugation
Journal, issue, pagesPlos One, Vol. 7, Page e49035-e49035, Year 2012
Publish dateJul 31, 2012 (structure data deposition date)
AuthorsKe, W. / Pattanaik, P. / Bethel, C.R. / Sheri, A. / Buynak, J.D. / Bonomo, R.A. / van den Akker, F.
External linksPlos One / PubMed:23145056
MethodsX-ray diffraction
Resolution1.53 - 1.84 Å
Structure data

PDB-4gd6:
SHV-1 beta-lactamase in complex with penam sulfone SA1-204
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

PDB-4gd8:
SHV-1 beta-lactamase in complex with penam sulfone SA3-53
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4gdb:
SHV-1 in complex with 4H-pyrazolo[1,5-c][1,3]thiazole containing penem inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

Chemicals

ChemComp-17K:
(3R)-N-(2-formylindolizin-3-yl)-4-[(phenylacetyl)oxy]-3-sulfino-D-valine

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

ChemComp-HOH:
WATER

ChemComp-MXF:
(2S,3R)-4-(2-aminoethylcarbamoyloxy)-2-[(2-methanoylindolizin-3-yl)amino]-3-methyl-3-sulfino-butanoic acid

ChemComp-17O:
(7R)-6-formyl-7-(4H-pyrazolo[1,5-c][1,3]thiazol-2-yl)-4,7-dihydro-1,4-thiazepine-3-carboxylic acid

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

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / Class A beta-lactamase / hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex

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