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TitleThe internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution.
Journal, issue, pagesTo be Published
Publish dateMar 16, 2021 (structure data deposition date)
AuthorsHilario, E. / Dunn, M.F. / Mueller, L.J.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-7m2l:
The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. Two of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-F6F:
2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CL:
Unknown entry

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-PLP:
PYRIDOXAL-5'-PHOSPHATE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-NA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • salmonella typhimurium (strain lt2 / sgsc1412 / atcc 700720) (bacteria)
KeywordsLYASE/LYASE INHIBITOR / inhibitor / internal aldimine / LYASE / LYASE-LYASE INHIBITOR complex

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