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Structure paper

TitleMolecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Journal, issue, pagesNucleic Acids Res., Vol. 44, Page 10505-10514, Year 2016
Publish dateMay 12, 2016 (structure data deposition date)
AuthorsCao, X. / Li, Y. / Jin, X. / Guo, F. / Jin, T.
External linksNucleic Acids Res. / PubMed:27915293
MethodsX-ray diffraction
Resolution1.4 - 1.848 Å
Structure data

PDB-5jwh:
Apo structure
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5k8i:
Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+
Method: X-RAY DIFFRACTION / Resolution: 1.694 Å

PDB-5k8l:
Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S
Method: X-RAY DIFFRACTION / Resolution: 1.751 Å

PDB-5k8t:
Crystal structure of ZIKV NS3 helicase in complex with GTP-gammar S and an magnesium ion
Method: X-RAY DIFFRACTION / Resolution: 1.848 Å

PDB-5k8u:
Crystal structure of ZIKV NS3 helicase in complex with ADP and Mn2+
Method: X-RAY DIFFRACTION / Resolution: 1.601 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-ATP:
ADENOSINE-5'-TRIPHOSPHATE / ATP, energy-carrying molecule*YM

ChemComp-CL:
Unknown entry

ChemComp-MN:
Unknown entry

ChemComp-GSP:
5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE

ChemComp-MPD:
(4S)-2-METHYL-2,4-PENTANEDIOL / precipitant*YM

ChemComp-MG:
Unknown entry

ChemComp-ADP:
ADENOSINE-5'-DIPHOSPHATE / ADP, energy-carrying molecule*YM

Source
  • zika virus
KeywordsHYDROLASE / NTPase / helicase

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