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- PDB-5twn: CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RN... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5twn | ||||||
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Title | CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA- DEPENDENT RNA POLYMERASE IN COMPLEX WITH 5-[3-(tert-butylcarbamoyl)phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methylfuro[2,3-b]pyridine-3-carboxamide | ||||||
![]() | NS5B RNA- DEPENDENT RNA POLYMERASE | ||||||
![]() | TRANSFERASE/TRANSFERASE inhibitor / ![]() ![]() ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() positive stranded viral RNA replication / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | Hepatitis C virus genotype 1b | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sheriff, S. | ||||||
![]() | ![]() Title: The discovery of a pan-genotypic, primer grip inhibitor of HCV NS5B polymerase. Authors: Eastman, K.J. / Parcella, K. / Yeung, K.S. / Grant-Young, K.A. / Zhu, J. / Wang, T. / Zhang, Z. / Yin, Z. / Beno, B.R. / Sheriff, S. / Kish, K. / Tredup, J. / Jardel, A.G. / Halan, V. / ...Authors: Eastman, K.J. / Parcella, K. / Yeung, K.S. / Grant-Young, K.A. / Zhu, J. / Wang, T. / Zhang, Z. / Yin, Z. / Beno, B.R. / Sheriff, S. / Kish, K. / Tredup, J. / Jardel, A.G. / Halan, V. / Ghosh, K. / Parker, D. / Mosure, K. / Fang, H. / Wang, Y.K. / Lemm, J. / Zhuo, X. / Hanumegowda, U. / Rigat, K. / Donoso, M. / Tuttle, M. / Zvyaga, T. / Haarhoff, Z. / Meanwell, N.A. / Soars, M.G. / Roberts, S.B. / Kadow, J.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 228.3 KB | Display | ![]() |
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PDB format | ![]() | 182 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5twmC ![]() 3qoz C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 63961.516 Da / Num. of mol.: 2 / Fragment: UNP residues 2420-2992 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: isolate Con1 / Plasmid: pET21b / Production host: ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-SO4 / ![]() #4: Chemical | ChemComp-7NG / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.74 Å3/Da / Density % sol: 55.13 % |
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Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 5.6 Details: 200 mM Sodium Potassium Tartrate, 100 mM Sodium Citrate, 1.75 M (NH4)2SO4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: May 14, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 3.03→50 Å / Num. obs: 27952 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 6 % / Biso Wilson estimate: 76 Å2 / Rsym value: 0.12 / Net I/σ(I): 16.8 |
Reflection shell | Resolution: 3.03→3.14 Å / Redundancy: 6.2 % / Mean I/σ(I) obs: 4.5 / Rsym value: 0.589 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 3QOZ ![]() 3qoz Resolution: 3.04→49.12 Å / Cor.coef. Fo:Fc: 0.926 / Cor.coef. Fo:Fc free: 0.905 / Rfactor Rfree error: 0 / Cross valid method: THROUGHOUT / σ(F): 0 / SU Rfree Blow DPI: 0.369
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Displacement parameters | Biso max: 177.65 Å2 / Biso mean: 65.72 Å2 / Biso min: 14.44 Å2
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Refine analyze | Luzzati coordinate error obs: 0.35 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 3.04→49.12 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.04→3.15 Å / Total num. of bins used: 14
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