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Structure paper

TitleFlavin-Dependent Thymidylate Synthase as a Drug Target for Deadly Microbes: Mutational Study and a Strategy for Inhibitor Design.
Journal, issue, pagesJ Bioterror Biodef, Vol. Suppl 12, Page 004-004, Year 2013
Publish dateApr 22, 2013 (structure data deposition date)
AuthorsMathews, I.I.
External linksJ Bioterror Biodef / PubMed:24563811
MethodsX-ray diffraction
Resolution1.85 - 2.14 Å
Structure data

PDB-4kar:
Crystal structure of FDTS (TM0449) mutant (H53D) with FAD
Method: X-RAY DIFFRACTION / Resolution: 2.03 Å

PDB-4kas:
Crystal structure of FDTS from T. maritima mutant (H53D) with FAD and dUMP
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-4kat:
Crystal structure of FDTS from T. maritima mutant (R174K) with FAD and dUMP
Method: X-RAY DIFFRACTION / Resolution: 2.14 Å

Chemicals

ChemComp-FAD:
FLAVIN-ADENINE DINUCLEOTIDE / FAD*YM

ChemComp-2PE:
NONAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

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

ChemComp-SO4:
SULFATE ION

ChemComp-CL:
Unknown entry

ChemComp-PO4:
PHOSPHATE ION

ChemComp-FDA:
DIHYDROFLAVINE-ADENINE DINUCLEOTIDE

Source
  • thermotoga maritima msb8 (bacteria)
  • thermotoga maritima (bacteria)
KeywordsTRANSFERASE / thyX / FDTS / H53D mutant / FAD / Novel FDTS fold / Convertion of dUMP to dTMP using Tetrahydrofolate / and NAD(P)H / dUMP / and NAD(P)Hc

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