› 5k8i

X-ray diffraction
1.69Å resolution

Crystal structure of ZIKV NS3 helicase in complex with ATP and Mn2+

Released:
DOI: 10.2210/pdb5k8i/pdb
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Source organism: Zika virus
Primary publication:
Molecular mechanism of divalent-metal-induced activation of NS3 helicase and insights into Zika virus inhibitor design.
Cao X, Li Y, Jin X, Li Y, Guo F, Jin T
OpenAccess logo Nucleic Acids Res 44 10505-10514 (2016)
PMID: 27915293

Function and Biology Details

Reactions catalysed: 
Selective hydrolysis of -Xaa-Xaa-|-Yaa- bonds in which each of the Xaa can be either Arg or Lys and Yaa can be either Ser or Ala.
NTP + H(2)O = NDP + phosphate
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-103024 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ZIKV NS3 helicase Chain: A
Molecule details ›
Chain: A
Length: 458 amino acids
Theoretical weight: 51.43 KDa
Source organism: Zika virus
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A146CJG7 (Residues: 1668-2122; Coverage: 13%)
Sequence domains:
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

3 bound ligands:
Ligand ATP 1 x ATP
Ligand CL 1 x CL
Ligand MN 2 x MN
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P21
Unit cell:
a: 63.51Å b: 53.17Å c: 65.11Å
α: 90° β: 105.31° γ: 90°
R-values:
R R work R free
0.181 0.179 0.216
Expression system: Escherichia coli

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Citations

7 review citations

Advances in Developing Therapies to Combat Zika Virus: Current Knowledge and Future Perspectives.
Munjal et al. (2017)
6 more

3 mentions without citation

The A-Z of Zika drug discovery.
Mottin et al. (2018)
2 more

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