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Structure paper

TitleProbing the binding hot spots of KPC-2 carbapenemase using reversible tetrazole-based inhibitors
Journal, issue, pagesTo Be Published
Publish dateMar 7, 2022 (structure data deposition date)
AuthorsDeFrees, K. / Cambeis, E.M. / Chen, Y. / Renslo, A.R.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.36 - 2.247 Å
Structure data

PDB-7u70:
Crystal Structure of CTX-M-14 with compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.36 Å

PDB-7u8s:
Crystal Structure of KPC-2 with compound 2
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-7u9b:
Crystal structure of indoline 7 with KPC-2
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-7ua7:
Crystal structure of indoline 9 with KPC-2
Method: X-RAY DIFFRACTION / Resolution: 2.247 Å

Chemicals

ChemComp-LW0:
3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide

ChemComp-HOH:
WATER

ChemComp-M2I:
[(3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-indol-1-yl][3-(trifluoromethyl)phenyl]methanone

ChemComp-GOL:
GLYCEROL

ChemComp-M53:
tert-butyl {(3R)-3-[(1H-tetrazol-5-yl)carbamoyl]-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indol-3-yl}carbamate

Source
  • escherichia coli (E. coli)
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE/HYDROLASE inhibitor / beta-lactamase / tetrazole / inhibitor / complex / HYDROLASE / HYDROLASE-HYDROLASE inhibitor complex

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