U.S. Department of Health and Human Services — National Institutes of Health

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129283193

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Created on Thu, 2020-03-26 11:50, last updated on Wed, 2020-04-29 09:50

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General Information

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

Model ID

3DPX-013208

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

PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1129283193.

SARS-COV-2, COVID-19

Experimental Method

X-RAY DIFFRACTION

Resolution

1.890

Model Details

Associated Species

Escherichia coli

Oligomeric Details

dimeric

R-Factor

0.2025

Scattering Type

x-ray

Attribution

Citation Title

PanDDA analysis group deposition of SARS-CoV-2 mainprotease fragment screen

STL/VRML Files

PDB-5RE4-ribbon-secondary.wrl

PDB-5RE4-ribbon-rainbow.wrl

PDB-5RE4-ribbon-bychain.wrl

PDB-5RE4-ribbon.stl

PDB-5RE4-surf-bychain.wrl

PDB-5RE4-surf-hydropathy.wrl

PDB-5RE4-surf-coulombic.wrl

PDB-5RE4-surf.stl

X3D Files

PDB-5RE4-ribbon-secondary.x3d

PDB-5RE4-ribbon-rainbow.x3d

PDB-5RE4-ribbon-bychain.x3d

PDB-5RE4-ribbon.x3d

PDB-5RE4-surf-bychain.x3d

PDB-5RE4-surf-hydropathy.x3d

PDB-5RE4-surf-coulombic.x3d

PDB-5RE4-surf.x3d

PDB-5RE4-ribbon-secondary.x3d

PDB-5RE4-ribbon-rainbow.x3d

PDB-5RE4-ribbon-bychain.x3d

PDB-5RE4-ribbon.x3d

PDB-5RE4-surf-bychain.x3d

PDB-5RE4-surf-hydropathy.x3d

PDB-5RE4-surf-coulombic.x3d

PDB-5RE4-surf.x3d

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