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Structure paper

TitleNatural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 67, Page e0079123-e0079123, Year 2023
Publish dateApr 7, 2023 (structure data deposition date)
AuthorsMack, A.R. / Kumar, V. / Taracila, M.A. / Mojica, M.F. / O'Shea, M. / Schinabeck, W. / Silver, G. / Hujer, A.M. / Papp-Wallace, K.M. / Chen, S. ...Mack, A.R. / Kumar, V. / Taracila, M.A. / Mojica, M.F. / O'Shea, M. / Schinabeck, W. / Silver, G. / Hujer, A.M. / Papp-Wallace, K.M. / Chen, S. / Haider, S. / Caselli, E. / Prati, F. / van den Akker, F. / Bonomo, R.A.
External linksAntimicrob. Agents Chemother. / PubMed:37850746
MethodsX-ray diffraction
Resolution1.35 - 2.1 Å
Structure data

PDB-8sdl:
Crystal structure of PDC-3 beta-lactamase
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-8sdn:
Crystal structure of PDC-3 Y221H beta-lactamase
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-8sdr:
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-8sds:
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-8sdt:
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor S02030
Method: X-RAY DIFFRACTION / Resolution: 1.38 Å

PDB-8sdv:
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Method: X-RAY DIFFRACTION / Resolution: 1.42 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-HOH:
WATER

ChemComp-CB4:
PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE

ChemComp-ZXM:
1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid

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

Source
  • pseudomonas aeruginosa (bacteria)
KeywordsHYDROLASE / Pseudomonas-derived Cephalosporinase / antibiotic resistance / HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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