› 7ga3

X-ray diffraction
1.81Å resolution

PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z3241250482

Released:
DOI: 10.2210/pdb7ga3/pdb
PDB entry 7ga3 coloured by chain, front view.
PDB entry 7ga3 coloured by chain, side view.
PDB entry 7ga3 coloured by chain, top view.
Source organism: Zika virus
Entry authors: Godoy AS, Noske GD, Fairhead M, Lithgo RM, Koekemoer L, Aschenbrenner JC, Balcomb BH, Marples PG, Ni X, Tomlinson CWE, Wild C, Mesquita NCMR, Oliva G, Fearon D, Walsh MA, von Delft F

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

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

5 bound ligands:
Ligand EDO 1 x EDO
Ligand PO4 2 x PO4
Ligand MPD 1 x MPD
Ligand HV2 1 x HV2
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 53.613Å b: 69.968Å c: 57.678Å
α: 90° β: 92.53° γ: 90°
R-values:
R R work R free
0.202 0.2 0.253
Expression system: Escherichia coli

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