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TitleAn Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Journal, issue, pagesAcs Cent. Sci., Vol. 9, Page 2339-2349, Year 2023
Publish dateSep 27, 2023 (structure data deposition date)
AuthorsZhou, Q. / Catalan, P. / Bell, H. / Baumann, P. / Cooke, R. / Evans, R. / Yang, J. / Zhang, Z. / Zappala, D. / Zhang, Y. ...Zhou, Q. / Catalan, P. / Bell, H. / Baumann, P. / Cooke, R. / Evans, R. / Yang, J. / Zhang, Z. / Zappala, D. / Zhang, Y. / Blackburn, G.M. / He, Y. / Jin, Y.
External linksAcs Cent. Sci. / PubMed:38161376
MethodsX-ray diffraction
Resolution1.53 Å
Structure data

PDB-8qnz:
OXA-48 with carbamylated Lys73 in complex with hydrolysed Imipenem and bromide ion competing for binding with Arg250 at neutral pH
Method: X-RAY DIFFRACTION / Resolution: 1.53 Å

Chemicals

ChemComp-8YF:
(2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole / antibiotic*YM

ChemComp-BR:
BROMIDE ION

ChemComp-1BO:
1-BUTANOL

ChemComp-HOH:
WATER

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / OXA / Imipenem

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