Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

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buffavaholic

Created on Thu, 2020-10-01 14:49, last updated on Thu, 2020-10-01 14:49

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General Information

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

Model ID 

3DPX-014905

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

coronavirus protease inhibitor complex, VIRAL PROTEIN

Protein Data Bank ID 

6XHM

Experimental Method 

X-RAY DIFFRACTION

Resolution 

1.406

Model Details

Associated Species 

Escherichia coli

Oligomeric Details 

dimeric

R-Factor 

0.1916

Scattering Type 

x-ray

Attribution

Citation Title 

The Discovery of Ketone-Based Covalent Inhibitors of Coronavirus 3CL Proteases for the Potential Therapeutic Treatment of COVID-19

STL/VRML Files

 

PDB-6XHM-ribbon-secondary.wrl

PDB-6XHM-ribbon-rainbow.wrl

PDB-6XHM-ribbon-bychain.wrl

PDB-6XHM-ribbon.stl

PDB-6XHM-surf-bychain.wrl

PDB-6XHM-surf-hydropathy.wrl

PDB-6XHM-surf-coulombic.wrl

PDB-6XHM-surf.stl

PDB-6XHM.zip

X3D Files

 

PDB-6XHM-ribbon-secondary.x3d

PDB-6XHM-ribbon-rainbow.x3d

PDB-6XHM-ribbon-bychain.x3d

PDB-6XHM-ribbon.x3d

PDB-6XHM-surf-bychain.x3d

PDB-6XHM-surf-hydropathy.x3d

PDB-6XHM-surf-coulombic.x3d

PDB-6XHM-surf.x3d

Rating

Select ratingGive Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide 1/5Give Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide 2/5Give Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide 3/5Give Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide 4/5Give Covalent complex of SARS-CoV-2 main protease with N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide 5/5Cancel rating

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