4m9i

X-ray diffraction
2.4Å resolution

A125C NS2B-NS3 protease from dengue virus at pH 5.5

Released:
Source organism: dengue virus type 2
Primary publication:
Allosteric inhibition of the NS2B-NS3 protease from dengue virus.
ACS Chem Biol 8 2744-52 (2013)
PMID: 24164286

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:

Structure analysis Details

Assembly composition:
monomeric (preferred)
PDBe Complex ID:
PDB-CPX-146327 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine protease NS3 Chain: A
Molecule details ›
Chain: A
Length: 247 amino acids
Theoretical weight: 26.36 KDa
Source organism: dengue virus type 2
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P12823 (Residues: 1394-1440, 1476-1660; Coverage: 7%)
Sequence domains:

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X6A
Spacegroup: C2221
Unit cell:
a: 59.469Å b: 62.153Å c: 114.619Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.215 0.276
Expression system: Escherichia coli BL21(DE3)