› 7h1m

X-ray diffraction
1.61Å resolution

PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with POB0075

Released:
DOI: 10.2210/pdb7h1m/pdb
PDB entry 7h1m coloured by chain, front view.
PDB entry 7h1m coloured by chain, side view.
PDB entry 7h1m coloured by chain, top view.
Source organism: Zika virus
Entry authors: Ni X, Godoy AS, Marples PG, Fairhead M, Balcomb BH, Tomlinson CWE, Koekemoer L, Aschenbrenner JC, Lithgo RM, Thompson W, Wild C, Williams EP, Winokan M, Chandran AV, 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:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174292 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Serine protease subunit NS2B Chain: A
Molecule details ›
Chain: A
Length: 46 amino acids
Theoretical weight: 5.07 KDa
Source organism: Zika virus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q32ZE1 (Residues: 1414-1457; Coverage: 1%)
Sequence domains: Flavivirus non-structural protein NS2B
Serine protease NS3 Chain: B
Molecule details ›
Chain: B
Length: 168 amino acids
Theoretical weight: 18.12 KDa
Source organism: Zika virus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q32ZE1 (Residues: 1509-1675; Coverage: 5%)
Sequence domains: Peptidase S7, Flavivirus NS3 serine protease

Ligands and Environments

2 bound ligands:
Ligand DMS 2 x DMS
Ligand A1AJN 1 x A1AJN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P4322
Unit cell:
a: 42.38Å b: 42.38Å c: 217.594Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.232 0.23 0.274
Expression system: Escherichia coli

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