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TitleStructural Comparison ofEnterococcus faecalisand Human Thymidylate Synthase Complexes with the Substrate dUMP and Its Analogue FdUMP Provides Hints about Enzyme Conformational Variabilities.
Journal, issue, pagesMolecules, Vol. 24, Year 2019
Publish dateMar 7, 2019 (structure data deposition date)
AuthorsPozzi, C. / Ferrari, S. / Luciani, R. / Tassone, G. / Costi, M.P. / Mangani, S.
External linksMolecules / PubMed:30935102
MethodsX-ray diffraction
Resolution1.76 - 2.88 Å
Structure data

PDB-6qxg:
Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with FdUMP
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-6qxh:
Crystal structure of His-tag human thymidylate synthase (HT-hTS) in complex with dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

PDB-6qxs:
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with FdUMP
Method: X-RAY DIFFRACTION / Resolution: 2.88 Å

PDB-6qya:
Crystal structure of Enteroccocus faecalis thymidylate synthase (EfTS) in complex with dUMP
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

Chemicals

ChemComp-UFP:
5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE / inhibitor*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-CL:
Unknown entry

ChemComp-FFO:
N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
  • enterococcus faecalis (strain atcc 700802 / v583) (bacteria)
  • enterococcus faecalis (bacteria)
KeywordsTRANSFERASE / human thymidylate synthase / folate pathway / inhibitor / FdUMP / substrate / dUMP / Enteroccocus faecalis thymidylate synthase / EfTS

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