6kk3

X-ray diffraction
2.05Å resolution

Crystal structure of Zika NS2B-NS3 protease with compound 4

Released:

Function and Biology Details

Reactions catalysed:
Nucleoside triphosphate + RNA(n) = diphosphate + RNA(n+1)
NTP + H(2)O = NDP + phosphate
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]
S-adenosyl-L-methionine + a 5'-(5'-triphosphoguanosine)-[mRNA] = S-adenosyl-L-homocysteine + a 5'-(N(7)-methyl 5'-triphosphoguanosine)-[mRNA]
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.
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease subunit NS2B Chain: A
Molecule details ›
Chain: A
Length: 38 amino acids
Theoretical weight: 4.22 KDa
Source organism: Zika virus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q32ZE1 (Residues: 1418-1455; Coverage: 1%)
Serine protease NS3 Chain: B
Molecule details ›
Chain: B
Length: 154 amino acids
Theoretical weight: 16.5 KDa
Source organism: Zika virus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q32ZE1 (Residues: 1515-1668; Coverage: 5%)
Sequence domains: Peptidase S7, Flavivirus NS3 serine protease

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSRRC BEAMLINE TPS 05A
Spacegroup: P4322
Unit cell:
a: 42.58Å b: 42.58Å c: 215.26Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.217
Expression system: Escherichia coli