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Structure paper

TitleStructural Insights into the Mechanism of Carbapenemase Activity of the OXA-48 beta-Lactamase.
Journal, issue, pagesAntimicrob. Agents Chemother., Vol. 63, Year 2019
Publish dateJun 10, 2019 (structure data deposition date)
AuthorsSmith, C.A. / Stewart, N.K. / Toth, M. / Vakulenko, S.B.
External linksAntimicrob. Agents Chemother. / PubMed:31358584
MethodsX-ray diffraction
Resolution1.6 - 2.25 Å
Structure data

PDB-6p96:
OXA-48 carbapanemase, apo form
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-6p97:
OXA-48 carbapanemase, imipenem complex
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-6p98:
OXA-48 carbapanemase, meropenem complex
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-6p99:
OXA-48 carbapanemase, ertapenem complex
Method: X-RAY DIFFRACTION / Resolution: 2.25 Å

PDB-6p9c:
OXA-48 carbapanemase, doripenem complex
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-CD:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-IM2:
(5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox / antibiotic*YM

ChemComp-KE1:
meropenem, bound form

ChemComp-1RG:
(4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid / medication, antibiotic*YM

ChemComp-4J6:
(4R,5S)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-4,5-dihydro-1H-pyrrole-2-carboxylic acid

ChemComp-O6P:
Doripenem / antibiotic*YM

Source
  • klebsiella pneumoniae (bacteria)
KeywordsHYDROLASE / antibiotic resistance / beta-lactamase / carbapenemase / imipenem complex / HYDROLASE/ANTIBIOTIC / meropenem complex / HYDROLASE-ANTIBIOTIC complex / ertapenem complex / dorupenem complex

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