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TitleUnderstanding the Key Factors that Control the Inhibition of Type II Dehydroquinase by (2R)-2- Benzyl-3-Dehydroquinic Acids.
Journal, issue, pagesChemmedchem, Vol. 5, Page 1726-, Year 2010
Publish dateApr 8, 2010 (structure data deposition date)
AuthorsPeon, A. / Otero, J.M. / Tizon, L. / Prazeres, V.F.V. / Llamas-Saiz, A.L. / Fox, G.C. / van Raaij, M.J. / Lamb, H. / Hawkins, A.R. / Gago, F. ...Peon, A. / Otero, J.M. / Tizon, L. / Prazeres, V.F.V. / Llamas-Saiz, A.L. / Fox, G.C. / van Raaij, M.J. / Lamb, H. / Hawkins, A.R. / Gago, F. / Castedo, L. / Gonzalez-Bello, C.
External linksChemmedchem / PubMed:20815012
MethodsX-ray diffraction
Resolution2.4 - 2.75 Å
Structure data

PDB-2xb8:
Structure of Mycobacterium tuberculosis type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3- dehydroquinic acid
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-2xb9:
Structure of Helicobacter pylori type II dehydroquinase in complex with inhibitor compound (2R)-2-(4-methoxybenzyl)-3-dehydroquinic acid
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

Chemicals

ChemComp-XNW:
(1R,2R,4S,5R)-1,4,5-TRIHYDROXY-2-(4-METHOXYBENZYL)-3-OXOCYCLOHEXANECARBOXYLIC ACID

ChemComp-SO4:
SULFATE ION

ChemComp-TRS:
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL / pH buffer*YM

ChemComp-HOH:
WATER

ChemComp-CIT:
CITRIC ACID

Source
  • mycobacterium tuberculosis (bacteria)
  • helicobacter pylori (bacteria)
KeywordsLYASE / AMINO ACID BIOSYNTHESIS

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