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TitleMycobacterium tuberculosis shikimate kinase inhibitors: design and simulation studies of the catalytic turnover.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 135, Page 12366-12376, Year 2013
Publish dateJun 2, 2013 (structure data deposition date)
AuthorsBlanco, B. / Prado, V. / Lence, E. / Otero, J.M. / Garcia-Doval, C. / van Raaij, M.J. / Llamas-Saiz, A.L. / Lamb, H. / Hawkins, A.R. / Gonzalez-Bello, C.
External linksJ. Am. Chem. Soc. / PubMed:23889343
MethodsX-ray diffraction
Resolution2.15 Å
Structure data

PDB-4bqs:
Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with ADP and a shikimic acid derivative.
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

ChemComp-K2Q:
(1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsTRANSFERASE / PHOSPHOTRANSFERASES (ALCOHOL GROUP ACCEPTOR) / SHIKIMIC ACID PATHWAY / INHIBITOR

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