PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PG-COV-42 (Mpro-x2052)

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cruzp2

Created on Tue, 2020-10-20 16:38, last updated on Tue, 2020-10-20 16:54

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General Information

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

Model ID 

3DPX-014966

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, HYDROLASE-HYDROLASE INHIBITOR complex

Protein Data Bank ID 

5RHE

SARS-CoV-2, Covid-19

Experimental Method 

X-RAY DIFFRACTION

Resolution 

1.560

Model Details

Associated Species 

escherichia coli

Oligomeric Details 

dimeric

R-Factor 

0.1811

Scattering Type 

x-ray

Attribution

Citation Title 

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

STL/VRML Files

 

PDB-5RHE-ribbon-secondary.wrl

PDB-5RHE-ribbon-rainbow.wrl

PDB-5RHE-ribbon-bychain.wrl

PDB-5RHE-ribbon.stl

PDB-5RHE-surf-bychain.wrl

PDB-5RHE-surf-hydropathy.wrl

PDB-5RHE-surf-coulombic.wrl

PDB-5RHE-surf.stl

PDB-5RHE.zip

X3D Files

 

PDB-5RHE-ribbon-secondary.x3d

PDB-5RHE-ribbon-rainbow.x3d

PDB-5RHE-ribbon-bychain.x3d

PDB-5RHE-ribbon.x3d

PDB-5RHE-surf-bychain.x3d

PDB-5RHE-surf-hydropathy.x3d

PDB-5RHE-surf-coulombic.x3d

PDB-5RHE-surf.x3d

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