PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z147647874 (Mpro-x2779)

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cruzp2

Created on Wed, 2020-08-19 10:53, last updated on Wed, 2020-08-19 12:52

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General Information

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

Model ID 

3DPX-014751

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

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

SARS-CoV-2, COVID-19

Protein Data Bank ID 

5RHA

Experimental Method 

X-RAY DIFFRACTION

Resolution 

1.510

Model Details

Associated Species 

Escherichia coli

Oligomeric Details 

dimeric

R-Factor 

0.1753

Scattering Type 

x-ray

Attribution

Citation Title 

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

STL/VRML Files

 

PDB-5RHA-ribbon-secondary.wrl

PDB-5RHA-ribbon-rainbow.wrl

PDB-5RHA-ribbon-bychain.wrl

PDB-5RHA-ribbon.stl

PDB-5RHA-surf-bychain.wrl

PDB-5RHA-surf-hydropathy.wrl

PDB-5RHA-surf-coulombic.wrl

PDB-5RHA-surf.stl

PDB-5RHA.zip

X3D Files

 

PDB-5RHA-ribbon-secondary.x3d

PDB-5RHA-ribbon-rainbow.x3d

PDB-5RHA-ribbon-bychain.x3d

PDB-5RHA-ribbon.x3d

PDB-5RHA-surf-bychain.x3d

PDB-5RHA-surf-hydropathy.x3d

PDB-5RHA-surf-coulombic.x3d

PDB-5RHA-surf.x3d

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