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Chlorine in PDB 5sml: Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045)
Enzymatic activity of Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045)
All present enzymatic activity of Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045):
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045), PDB code: 5sml
was solved by
D.Fearon,
C.D.Owen,
P.Lukacik,
C.M.Strain-Damerell,
F.Von Delft,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 54.66 / 1.53 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 112.195, 52.829, 44.461, 90, 103, 90 |
| R / Rfree (%) | 19.2 / 22.7 |
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045)
(pdb code 5sml). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045), PDB code: 5sml:
Jump to Chlorine binding site number: 1; 2;
In total 2 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045), PDB code: 5sml:
Jump to Chlorine binding site number: 1; 2;
Chlorine binding site 1 out of 2 in 5sml
Go back to
Chlorine Binding Sites List in 5sml
Chlorine binding site 1 out
of 2 in the Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045) within 5.0Å range:
|
Chlorine binding site 2 out of 2 in 5sml
Go back to
Chlorine Binding Sites List in 5sml
Chlorine binding site 2 out
of 2 in the Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Z68337194 (Mpro-IBM0045) within 5.0Å range:
|
Reference:
D.Fearon,
C.D.Owen,
P.Lukacik,
C.M.Strain-Damerell,
F.Von Delft.
Pandda Analysis Group Deposition of Sars-Cov-2 Main Protease Ligands Identified From Single Sequence-Guideddeep Generative Framework To Be Published.
Page generated: Sat Jul 12 08:35:47 2025
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