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- PDB-6c2m: Crystal structure of HCV NS3/4A protease variant Y56H in complex ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6c2m | |||||||||
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Title | Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172 | |||||||||
![]() | NS3 protease | |||||||||
![]() | HYDROLASE/HYDROLASE Inhibitor / NS3/4a Protease / Hepatitis C virus / Drug Resistance / protease inhibitor / HYDROLASE-HYDROLASE Inhibitor complex | |||||||||
Function / homology | ![]() transformation of host cell by virus / host cell membrane / serine-type peptidase activity / virion component / symbiont entry into host cell / virion attachment to host cell / proteolysis / membrane / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Matthew, A.N. / Schiffer, C.A. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Clinical signature variant of HCV NS3/4A protease uses a novel mechanism to confer resistance Authors: Matthew, A.N. / Schiffer, C.A. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 276.3 KB | Display | ![]() |
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PDB format | ![]() | 224.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.8 MB | Display | ![]() |
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Full document | ![]() | 1.8 MB | Display | |
Data in XML | ![]() | 35 KB | Display | |
Data in CIF | ![]() | 45.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6c2nC ![]() 6c2oC ![]() 5vojS S: Starting model for refinement C: citing same article ( |
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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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3 | ![]()
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4 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 20854.637 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-SUE / ( #4: Chemical | ChemComp-SO4 / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.52 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 100 mM MES BUFFER PH 6.5, 4% (W/V) AMMONIUM SULFATE, 20-26% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jul 7, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.859→35.725 Å / Num. obs: 63506 / % possible obs: 96 % / Redundancy: 3.3 % / Rsym value: 0.066 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 1.859→1.906 Å / Rsym value: 0.281 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5VOJ Resolution: 1.859→35.725 Å / Cross valid method: FREE R-VALUE / σ(F): 19.45 / Phase error: 29.44 / Stereochemistry target values: TWIN_LSQ_F
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.859→35.725 Å
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Refine LS restraints |
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LS refinement shell |
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