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Structure paper

Title(13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Journal, issue, pagesOrg. Biomol. Chem., Vol. 15, Page 6024-6032, Year 2017
Publish dateDec 12, 2016 (structure data deposition date)
AuthorsLohans, C.T. / Wang, D.Y. / Jorgensen, C. / Cahill, S.T. / Clifton, I.J. / McDonough, M.A. / Oswin, H.P. / Spencer, J. / Domene, C. / Claridge, T.D.W. ...Lohans, C.T. / Wang, D.Y. / Jorgensen, C. / Cahill, S.T. / Clifton, I.J. / McDonough, M.A. / Oswin, H.P. / Spencer, J. / Domene, C. / Claridge, T.D.W. / Brem, J. / Schofield, C.J.
External linksOrg. Biomol. Chem. / PubMed:28678295
MethodsX-ray diffraction
Resolution1.34 - 1.88 Å
Structure data

PDB-5mmy:
Crystal structure of OXA10 with HEPES
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-5mnu:
OXA-10 Avibactam complex with bound bromide
Method: X-RAY DIFFRACTION / Resolution: 1.56 Å

PDB-5mox:
OXA-10 Avibactam complex with bound CO2
Method: X-RAY DIFFRACTION / Resolution: 1.41 Å

PDB-5moz:
OXA-10 Avibactam complex with bound Iodide
Method: X-RAY DIFFRACTION / Resolution: 1.34 Å

Chemicals

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

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

ChemComp-GOL:
GLYCEROL

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-CO3:
CARBONATE ION

ChemComp-HOH:
WATER

ChemComp-NXL:
(2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide / antibiotic, inhibitor*YM

ChemComp-BR:
BROMIDE ION

ChemComp-NA:
Unknown entry

ChemComp-CO2:
CARBON DIOXIDE

ChemComp-IOD:
IODIDE ION

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / antibiotic resistance oxacillinase carbapenems / antibiotic resistance / antibiotic resisitance

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