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TitleFadA5 a Thiolase from Mycobacterium tuberculosis: A Steroid-Binding Pocket Reveals the Potential for Drug Development against Tuberculosis.
Journal, issue, pagesStructure, Vol. 23, Page 21-33, Year 2015
Publish dateAug 13, 2014 (structure data deposition date)
AuthorsSchaefer, C.M. / Lu, R. / Nesbitt, N.M. / Schiebel, J. / Sampson, N.S. / Kisker, C.
External linksStructure / PubMed:25482540
MethodsX-ray diffraction
Resolution1.7 - 3 Å
Structure data

PDB-4ubt:
Structure of the C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with a steroid and CoA.
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

PDB-4ubu:
Structure of a modified C93S variant of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis in complex with CoA
Method: X-RAY DIFFRACTION / Resolution: 3 Å

PDB-4ubv:
Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and CoA
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-4ubw:
Apo structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-COA:
COENZYME A

ChemComp-3G6:
(2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name)

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-ACO:
ACETYL COENZYME *A

ChemComp-SO4:
SULFATE ION

ChemComp-DIO:
1,4-DIETHYLENE DIOXIDE

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

Source
  • mycobacterium tuberculosis (bacteria)
  • mycobacterium tuberculosis h37rv (bacteria)
KeywordsTRANSFERASE / degradative thiolase / steroid-complex / acetylated / partially acetylated degradative thiolase / acetyl-CoA / CoA / apo / Mycobacterium tuberculosis / cholesterol metabolism

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