› 5jwh

X-ray diffraction
1.4Å resolution

Apo structure

Released:
DOI: 10.2210/pdb5jwh/pdb
PDB entry 5jwh coloured by chain, front view.
PDB entry 5jwh coloured by chain, side view.
PDB entry 5jwh coloured by chain, top view.
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
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:
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 BL21(DE3)
UniProt:
  • Canonical: A0A146CJG7 (Residues: 1668-2122; Coverage: 13%)
Sequence domains:
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

1 bound ligand:
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P21
Unit cell:
a: 63.29Å b: 52.6Å c: 65.11Å
α: 90° β: 105.09° γ: 90°
R-values:
R R work R free
0.179 0.178 0.213
Expression system: Escherichia coli BL21(DE3)

Quick links

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