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TitleTernary complex formation of AFN-1252 with Acinetobacter baumannii FabI and NADH: Crystallographic and biochemical studies.
Journal, issue, pagesChem. Biol. Drug Des., Vol. 96, Page 704-713, Year 2020
Publish dateAug 17, 2018 (structure data deposition date)
AuthorsRao, N.K. / Nataraj, V. / Ravi, M. / Panchariya, L. / Palai, K. / Talapati, S.R. / Lakshminarasimhan, A. / Ramachandra, M. / Antony, T.
External linksChem. Biol. Drug Des. / PubMed:32227402
MethodsX-ray diffraction
Resolution2.29 Å
Structure data

PDB-6ahe:
Crystal structure of enoyl-ACP reductase from Acinetobacter baumannii in complex with NAD and AFN-1252
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

Chemicals

ChemComp-NAD:
NICOTINAMIDE-ADENINE-DINUCLEOTIDE / NAD*YM

ChemComp-0WE:
N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide

ChemComp-HOH:
WATER

Source
  • acinetobacter baumannii atcc 19606 = cip 70.34 = jcm 6841 (bacteria)
KeywordsOXIDOREDUCTASE / Fabi / Acinetobacter baumannii / NAD / AFN-1252 / Inhibitor complex

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