PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent...

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cruzp2

Created on Wed, 2020-04-01 09:08, 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-013392

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

SARS-CoV-2, COVID-19, SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, alpha/beta hydrolase fold

Protein Data Bank ID 

5R8T

SARS-CoV-2, COVID-19

Experimental Method 

X-RAY DIFFRACTION

Resolution 

1.270

Model Details

Associated Species 

Escherichia coli

Oligomeric Details 

dimeric

R-Factor 

0.1852

Scattering Type 

x-ray

Attribution

Citation Title 

PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease fragment screening

STL/VRML Files

 

PDB-5R8T-ribbon-secondary.wrl

PDB-5R8T-ribbon-rainbow.wrl

PDB-5R8T-ribbon-bychain.wrl

PDB-5R8T-ribbon.stl

PDB-5R8T-surf-bychain.wrl

PDB-5R8T-surf-hydropathy.wrl

PDB-5R8T-surf-coulombic.wrl

PDB-5R8T-surf.stl

PDB-5R8T.zip

X3D Files

 

PDB-5R8T-ribbon-secondary.x3d

PDB-5R8T-ribbon-rainbow.x3d

PDB-5R8T-ribbon-bychain.x3d

PDB-5R8T-ribbon.x3d

PDB-5R8T-surf-bychain.x3d

PDB-5R8T-surf-hydropathy.x3d

PDB-5R8T-surf-coulombic.x3d

PDB-5R8T-surf.x3d

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