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TitleInhibiting Mycobacterium tuberculosis CoaBC by targeting an allosteric site.
Journal, issue, pagesNat Commun, Vol. 12, Page 143-143, Year 2021
Publish dateNov 18, 2019 (structure data deposition date)
AuthorsMendes, V. / Green, S.R. / Evans, J.C. / Hess, J. / Blaszczyk, M. / Spry, C. / Bryant, O. / Cory-Wright, J. / Chan, D.S. / Torres, P.H.M. ...Mendes, V. / Green, S.R. / Evans, J.C. / Hess, J. / Blaszczyk, M. / Spry, C. / Bryant, O. / Cory-Wright, J. / Chan, D.S. / Torres, P.H.M. / Wang, Z. / Nahiyaan, N. / O'Neill, S. / Damerow, S. / Post, J. / Bayliss, T. / Lynch, S.L. / Coyne, A.G. / Ray, P.C. / Abell, C. / Rhee, K.Y. / Boshoff, H.I.M. / Barry, C.E. / Mizrahi, V. / Wyatt, P.G. / Blundell, T.L.
External linksNat Commun / PubMed:33420031
MethodsX-ray diffraction
Resolution1.844 - 2.5 Å
Structure data

PDB-6tgv:
Crystal structure of Mycobacterium smegmatis CoaBC in complex with CTP and FMN
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

PDB-6th2:
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP
Method: X-RAY DIFFRACTION / Resolution: 1.844 Å

PDB-6thc:
Crystal structure of Mycobacterium smegmatis CoaB in complex with CTP and (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone
Method: X-RAY DIFFRACTION / Resolution: 2.033 Å

Chemicals

ChemComp-CTP:
CYTIDINE-5'-TRIPHOSPHATE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-MG:
Unknown entry

ChemComp-FMN:
FLAVIN MONONUCLEOTIDE

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-N9N:
(4-hydroxyphenyl)-[2,3,4-tris(oxidanyl)phenyl]methanone

Source
  • mycolicibacterium smegmatis (strain atcc 700084 / mc(2)155) (bacteria)
  • mycolicibacterium smegmatis mc2 155 (bacteria)
  • mycolicibacterium smegmatis (bacteria)
KeywordsLIGASE / CoaBC / bifunctional Phosphopantothenoylcysteine decarboxylase/phosphopantothenate-cysteine ligase / phosphopantothenate-cysteine ligase / Phosphopantothenoylcysteine decarboxylase / phosphopantothenoylcysteine synthetase

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