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Atomistry » Chlorine » PDB 8qqg-8rhl » 8r12 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 8qqg-8rhl » 8r12 » |
Chlorine in PDB 8r12: Structure of Compound 8 Bound to Sars-Cov-2 Main ProteaseEnzymatic activity of Structure of Compound 8 Bound to Sars-Cov-2 Main Protease
All present enzymatic activity of Structure of Compound 8 Bound to Sars-Cov-2 Main Protease:
3.4.22.69; Protein crystallography data
The structure of Structure of Compound 8 Bound to Sars-Cov-2 Main Protease, PDB code: 8r12
was solved by
A.Mac Sweeney,
J.Hazemann,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 8r12:
The structure of Structure of Compound 8 Bound to Sars-Cov-2 Main Protease also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Compound 8 Bound to Sars-Cov-2 Main Protease
(pdb code 8r12). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of Compound 8 Bound to Sars-Cov-2 Main Protease, PDB code: 8r12: Jump to Chlorine binding site number: 1; 2; 3; Chlorine binding site 1 out of 3 in 8r12Go back to Chlorine Binding Sites List in 8r12
Chlorine binding site 1 out
of 3 in the Structure of Compound 8 Bound to Sars-Cov-2 Main Protease
Mono view Stereo pair view
Chlorine binding site 2 out of 3 in 8r12Go back to Chlorine Binding Sites List in 8r12
Chlorine binding site 2 out
of 3 in the Structure of Compound 8 Bound to Sars-Cov-2 Main Protease
Mono view Stereo pair view
Chlorine binding site 3 out of 3 in 8r12Go back to Chlorine Binding Sites List in 8r12
Chlorine binding site 3 out
of 3 in the Structure of Compound 8 Bound to Sars-Cov-2 Main Protease
Mono view Stereo pair view
Reference:
A.Mac Sweeney,
J.Hazemann.
Identification of Sars-Cov-2 Mpro Inhibitors Through Deep Reinforcement Learning For De Novo Drug Design and Computational Chemistry Approaches To Be Published.
Page generated: Tue Jul 30 12:06:43 2024
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