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Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2205

X-ray diffraction
1.52Å resolution
PDB entry 7zq1 coloured by chain, front view.
PDB entry 7zq1 coloured by chain, side view.
PDB entry 7zq1 coloured by chain, top view.
Source organism: Zika virus
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Serine protease subunit NS2B
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Multimeric state: hetero dimer
Accessible surface area: 9082.76 Å2
Buried surface area: 3980.93 Å2
Dissociation area: 1,990.46 Å2
Dissociation energy (ΔGdiss): 26.3 kcal/mol
Dissociation entropy (TΔSdiss): 11.05 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-174292

Macromolecules

Serine protease subunit NS2B
Chain: A
Length: 53 amino acids
Theoretical weight: 5.87 KDa
Source organism: Zika virus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q32ZE1 (Residues: 1414-1464; Coverage: 2%)
Pfam: Flavivirus non-structural protein NS2B
InterPro: Non-structural protein NS2B, flavivirus
Serine protease subunit NS2B in PDB entry 7zq1, assembly 1, front view.
Serine protease subunit NS2B in PDB entry 7zq1, assembly 1, side view.
Serine protease subunit NS2B in PDB entry 7zq1, assembly 1, top view.
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Serine protease NS3
Chain: B
Length: 178 amino acids
Theoretical weight: 19.04 KDa
Source organism: Zika virus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q32ZE1 (Residues: 1499-1675; Coverage: 5%)
Pfam: Peptidase S7, Flavivirus NS3 serine protease
InterPro:
Serine protease NS3 in PDB entry 7zq1, assembly 1, front view.
Serine protease NS3 in PDB entry 7zq1, assembly 1, side view.
Serine protease NS3 in PDB entry 7zq1, assembly 1, top view.
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