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Structure paper

TitleEfficacy and Mode of Action of a Direct Inhibitor of Mycobacterium abscessus InhA.
Journal, issue, pagesAcs Infect Dis., Vol. 8, Page 2171-2186, Year 2022
Publish dateOct 30, 2020 (structure data deposition date)
AuthorsAlcaraz, M. / Roquet-Baneres, F. / Leon-Icaza, S.A. / Abendroth, J. / Boudehen, Y.M. / Cougoule, C. / Edwards, T.E. / Kremer, L.
External linksAcs Infect Dis. / PubMed:36107992
MethodsX-ray diffraction
Resolution1.45 - 1.85 Å
Structure data

PDB-7kli:
Crystal Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] (InhA) from Mycobacterium abscessus
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

PDB-7l6c:
Crystal Structure of Enoyl-[acyl-carrier-protein] reductase InhA from Mycobacterium abscessus in complex with NAD
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7u0m:
Crystal structure of a enoyl-[acyl-carrier-protein] reductase (InhA) from Mycobacterium abscessus bound to NAD and NITD-916
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

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

ChemComp-NA:
Unknown entry

ChemComp-3KY:
6-[(4,4-dimethylcyclohexyl)methyl]-4-hydroxy-3-phenylpyridin-2(1H)-one

Source
  • mycobacteroides abscessus (strain atcc 19977 / dsm 44196 / cip 104536 / jcm 13569 / nctc 13031 / tmc 1543) (bacteria)
  • mycobacteroides abscessus (bacteria)
KeywordsOXIDOREDUCTASE / SSGCID / Enoyl-[acyl-carrier-protein] reductase / InhA / MAB_2722c / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease / NAD / Mycobacterium / tuberculosis / cystic fibrosis / CF / pulmonary infections

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