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Structure paper

TitleMethylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Journal, issue, pagesProteins, Vol. 71, Page 308-319, Year 2008
Publish dateJul 19, 2006 (structure data deposition date)
AuthorsKovari, J. / Barabas, O. / Varga, B. / Bekesi, A. / Tolgyesi, F. / Fidy, J. / Nagy, J. / Vertessy, B.G.
External linksProteins / PubMed:17932923
MethodsX-ray diffraction
Resolution1.7 - 1.84 Å
Structure data

PDB-2hr6:
Crystal structure of dUTPase in complex with substrate analogue dUDP and manganese
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-2hrm:
Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-MN:
Unknown entry

ChemComp-DUD:
DEOXYURIDINE-5'-DIPHOSPHATE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-UC5:
2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE

Source
  • escherichia coli (E. coli)
KeywordsHYDROLASE / JELLY ROLL / ENZYME-LIGAND-metal COMPLEX / ENZYME-SUBSTRATE ANALOGUE LIGAND COMPLEX

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