PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101)

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cruzp2

Created on Thu, 2020-04-30 12:26, last updated on Wed, 2021-12-01 10:31

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General Information

This Model was autogenerated from the "Quick Submit" tool.

Model ID 

3DPX-014131

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

SARS-CoV-2, COVID-19, SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, HYDROLASE-HYDROLASE INHIBITOR complex

Protein Data Bank ID 

5RGR

SARS-CoV-2, COVID-19

Experimental Method 

X-RAY DIFFRACTION

Resolution 

1.300

Model Details

Associated Species 

Escherichia coli

Oligomeric Details 

dimeric

R-Factor 

0.1741

Scattering Type 

x-ray

Attribution

Citation Title 

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen

STL/VRML Files

 

PDB-5RGR-ribbon-secondary.wrl

PDB-5RGR-ribbon-rainbow.wrl

PDB-5RGR-ribbon-bychain.wrl

PDB-5RGR-ribbon.stl

PDB-5RGR-surf-bychain.wrl

PDB-5RGR-surf-hydropathy.wrl

PDB-5RGR-surf-coulombic.wrl

PDB-5RGR-surf.stl

PDB-5RGR.zip

X3D Files

 

PDB-5RGR-ribbon-secondary.x3d

PDB-5RGR-ribbon-rainbow.x3d

PDB-5RGR-ribbon-bychain.x3d

PDB-5RGR-ribbon.x3d

PDB-5RGR-surf-bychain.x3d

PDB-5RGR-surf-hydropathy.x3d

PDB-5RGR-surf-coulombic.x3d

PDB-5RGR-surf.x3d

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