PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622066 (Mpro-x2563)

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cruzp2

Created on Mon, 2020-06-01 13:05, last updated on Mon, 2020-06-01 13:13

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General Information

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

Model ID 

3DPX-014478

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 

5RGV

 SARS-CoV-2, COVID-19

Experimental Method 

X-RAY DIFFRACTION

Resolution 

1.820

Model Details

Associated Species 

Escherichia coli

Oligomeric Details 

dimeric

R-Factor 

0.1894

Scattering Type 

x-ray

Attribution

Citation Title 

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

STL/VRML Files

 

PDB-5RGV-ribbon-secondary.wrl

PDB-5RGV-ribbon-rainbow.wrl

PDB-5RGV-ribbon-bychain.wrl

PDB-5RGV-ribbon.stl

PDB-5RGV-surf-bychain.wrl

PDB-5RGV-surf-hydropathy.wrl

PDB-5RGV-surf-coulombic.wrl

PDB-5RGV-surf.stl

PDB-5RGV.zip

X3D Files

 

PDB-5RGV-ribbon-secondary.x3d

PDB-5RGV-ribbon-rainbow.x3d

PDB-5RGV-ribbon-bychain.x3d

PDB-5RGV-ribbon.x3d

PDB-5RGV-surf-bychain.x3d

PDB-5RGV-surf-hydropathy.x3d

PDB-5RGV-surf-coulombic.x3d

PDB-5RGV-surf.x3d

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