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Structure paper

TitleStructure-Based Design of Potent Small-Molecule Binders to the S-Component of the ECF Transporter for Thiamine.
Journal, issue, pagesChembiochem, Vol. 16, Page 819-826, Year 2015
Publish dateFeb 26, 2014 (structure data deposition date)
AuthorsSwier, L.J. / Monjas, L. / Guskov, A. / de Voogd, A.R. / Erkens, G.B. / Slotboom, D.J. / Hirsch, A.K.
External linksChembiochem / PubMed:25676607
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-4pop:
ThiT with LMG139 bound
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4pov:
ThiT with LMG135 bound
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-2VY:
4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophene-2-carbaldehyde

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-BNG:
nonyl beta-D-glucopyranoside / detergent*YM

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-P33:
3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL / precipitant*YM

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

Source
  • lactococcus lactis subsp. cremoris (lactic acid bacteria)
KeywordsPROTEIN BINDING / S-component / Thiamine-binding protein / ECF module / Membrane

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