› 5rhu

X-ray diffraction
1.61Å resolution

PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1703168683

Released:
DOI: 10.2210/pdb5rhu/pdb
PDB entry 5rhu coloured by chain, front view.
PDB entry 5rhu coloured by chain, side view.
PDB entry 5rhu coloured by chain, top view.
Source organism: Zika virus
Entry authors: Godoy AS, Mesquita NCMR, Oliva G

Function and Biology Details

Reactions catalysed: 
S-adenosyl-L-methionine + a 5'-(5'-triphosphoguanosine)-[mRNA] = S-adenosyl-L-homocysteine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA]
S-adenosyl-L-methionine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(ribonucleotide)-[mRNA] = S-adenosyl-L-homocysteine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-ribonucleotide)-[mRNA]
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
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-174291 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease NS3 Chain: A
Molecule details ›
Chain: A
Length: 435 amino acids
Theoretical weight: 48.95 KDa
Source organism: Zika virus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q32ZE1 (Residues: 1681-2115; Coverage: 13%)
Sequence domains:

Ligands and Environments

4 bound ligands:
Ligand EDO 1 x EDO
Ligand PO4 2 x PO4
Ligand MPD 1 x MPD
Ligand UR7 1 x UR7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 53.63Å b: 68.7Å c: 56.96Å
α: 90° β: 92.45° γ: 90°
R-values:
R R work R free
0.173 0.171 0.215
Expression system: Escherichia coli

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