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TitleTryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site.
Journal, issue, pagesTo be Published
Publish dateApr 11, 2018 (structure data deposition date)
AuthorsHilario, E. / Dunn, M.F. / Mueller, L.J. / Fan, L.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.64 Å
Structure data

PDB-6d0v:
Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate at the beta site, and cesium ion at the metal coordination site
Method: X-RAY DIFFRACTION / Resolution: 1.64 Å

Chemicals

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

ChemComp-CL:
Unknown entry

ChemComp-F9F:
2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-0JO:
2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid

ChemComp-CS:
Unknown entry

ChemComp-SER:
SERINE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

Source
  • salmonella enterica subsp. enterica serovar typhimurium str. lt2 (bacteria)
KeywordsLYASE/LYASE INHIBITOR / F9F ligand / cesium ion / mutant beta-Q114A / Lyase / P1T ligand / LYASE-LYASE INHIBITOR complex

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