› 7hkq

X-ray diffraction
2.16Å resolution

Group deposition for crystallographic fragment screening of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 -- Crystal structure of the NS5 RNA-dependent RNA polymerase from Dengue virus serotype 2 in complex with Z1203329531 (DNV2_NS5A-x0428)

Released:
DOI: 10.2210/pdb7hkq/pdb
PDB entry 7hkq coloured by chain, front view.
PDB entry 7hkq coloured by chain, side view.
PDB entry 7hkq coloured by chain, top view.
Source organism: Dengue virus 2
Entry authors: Saini M, Chopra A, Aschenbrenner JC, Marples PG, Balcomb BH, Fearon D, von Delft F, Ruiz FX, Arnold E

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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187513 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Genome polyprotein Chain: A
Molecule details ›
Chain: A
Length: 637 amino acids
Theoretical weight: 73.89 KDa
Source organism: Dengue virus 2
Expression system: Escherichia coli
UniProt:
  • Canonical: Q91H74 (Residues: 2757-3391; Coverage: 19%)
Sequence domains:

Ligands and Environments

6 bound ligands:
Ligand ZN 2 x ZN
Ligand MES 1 x MES
Ligand DMS 3 x DMS
Ligand PEG 2 x PEG
Ligand PO4 2 x PO4
Ligand A1BDH 1 x A1BDH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: I222
Unit cell:
a: 82.493Å b: 115.52Å c: 145.412Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.213 0.281
Expression system: Escherichia coli

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