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TitleImaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase alpha-aminoacrylate intermediate.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 119, Year 2022
Publish dateMay 12, 2021 (structure data deposition date)
AuthorsHolmes, J.B. / Liu, V. / Caulkins, B.G. / Hilario, E. / Ghosh, R.K. / Drago, V.N. / Young, R.P. / Romero, J.A. / Gill, A.D. / Bogie, P.M. ...Holmes, J.B. / Liu, V. / Caulkins, B.G. / Hilario, E. / Ghosh, R.K. / Drago, V.N. / Young, R.P. / Romero, J.A. / Gill, A.D. / Bogie, P.M. / Paulino, J. / Wang, X. / Riviere, G. / Bosken, Y.K. / Struppe, J. / Hassan, A. / Guidoulianov, J. / Perrone, B. / Mentink-Vigier, F. / Chang, C.A. / Long, J.R. / Hooley, R.J. / Mueser, T.C. / Dunn, M.F. / Mueller, L.J.
External linksProc. Natl. Acad. Sci. USA / PubMed:34996869
MethodsX-ray diffraction
Resolution1.4 - 1.7 Å
Structure data

PDB-7mt4:
Crystal structure of tryptophan Synthase in complex with F9, NH4+, pH7.8 - alpha aminoacrylate form - E(A-A)
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-7mt5:
Crystal structure of tryptophan synthase in complex with F9, Cs+, pH7.8 - alpha aminoacrylate form - E(A-A)
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7mt6:
Crystal structure of tryptophan synthase in complex with F9, Cs+, benzimidazole, pH7.8 - alpha aminoacrylate form - E(A-A)(BZI)
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

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

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

ChemComp-NH4:
AMMONIUM ION

ChemComp-HOH:
WATER

ChemComp-CS:
Unknown entry

ChemComp-BZI:
BENZIMIDAZOLE

Source
  • salmonella enterica subsp. enterica serovar typhimurium (bacteria)
  • salmonella typhimurium (bacteria)
KeywordsLYASE/INHIBITOR / PLP-dependent enzyme Tryptophan synthase / LYASE / LYASE-INHIBITOR complex

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