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Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid

X-ray diffraction
2.29Å resolution
PDB entry 3q0z coloured by chain, front view.
PDB entry 3q0z coloured by chain, side view.
PDB entry 3q0z coloured by chain, top view.
Source organism: Hepatitis C virus subtype 1b
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Non-structural protein 5A
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Multimeric state: monomeric
Accessible surface area: 23674.59 Å2
Buried surface area: 876.72 Å2
Dissociation area: 77.54 Å2
Dissociation energy (ΔGdiss): 10.41 kcal/mol
Dissociation entropy (TΔSdiss): 0.62 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-194373
Assembly 2
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Assembly Name: Non-structural protein 5A
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Multimeric state: monomeric
Accessible surface area: 23185.92 Å2
Buried surface area: 748.52 Å2
Dissociation area: 56.9 Å2
Dissociation energy (ΔGdiss): 7.44 kcal/mol
Dissociation entropy (TΔSdiss): 0.61 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-194373
Assembly 3
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Assembly Name: Non-structural protein 5A
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Multimeric state: homo dimer
Accessible surface area: 45882.52 Å2
Buried surface area: 2594.23 Å2
Dissociation area: 485.49 Å2
Dissociation energy (ΔGdiss): -1.31 kcal/mol
Dissociation entropy (TΔSdiss): 14.2 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-194374

Macromolecules

RNA-directed RNA polymerase
Chains: A, B
Length: 574 amino acids
Theoretical weight: 63.96 KDa
Source organism: Hepatitis C virus subtype 1b
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9WMX2 (Residues: 2420-2992; Coverage: 19%)
Pfam: Viral RNA dependent RNA polymerase
InterPro:
RNA-directed RNA polymerase in PDB entry 3q0z, assembly 1, front view.
RNA-directed RNA polymerase in PDB entry 3q0z, assembly 1, side view.
RNA-directed RNA polymerase in PDB entry 3q0z, assembly 1, top view.
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