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Bromine in PDB 7gd2: Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862)
Enzymatic activity of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862)
All present enzymatic activity of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862):
3.4.22.69;
3.4.22.69;
Protein crystallography data
The structure of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862), PDB code: 7gd2
was solved by
D.Fearon,
A.Aimon,
J.C.Aschenbrenner,
B.H.Balcomb,
F.K.R.Bertram,
J.Brandao-Neto,
A.Dias,
A.Douangamath,
L.Dunnett,
A.S.Godoy,
T.J.Gorrie-Stone,
L.Koekemoer,
T.Krojer,
R.M.Lithgo,
P.Lukacik,
P.G.Marples,
H.Mikolajek,
E.Nelson,
C.D.Owen,
A.J.Powell,
V.L.Rangel,
R.Skyner,
C.M.Strain-Damerell,
W.Thompson,
C.W.E.Tomlinson,
C.Wild,
M.A.Walsh,
F.Von Delft,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
| Resolution Low / High (Å) | 55.58 / 1.65 |
| Space group | C 1 2 1 |
| Cell size a, b, c (Å), α, β, γ (°) | 113.545, 53.266, 44.619, 90, 101.79, 90 |
| R / Rfree (%) | 18.6 / 21.2 |
Other elements in 7gd2:
The structure of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862) also contains other interesting chemical elements:
| Fluorine | (F) | 2 atoms |
Bromine Binding Sites:
The binding sites of Bromine atom in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862)
(pdb code 7gd2). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862), PDB code: 7gd2:
Jump to Bromine binding site number: 1; 2;
In total 2 binding sites of Bromine where determined in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862), PDB code: 7gd2:
Jump to Bromine binding site number: 1; 2;
Bromine binding site 1 out of 2 in 7gd2
Go back to
Bromine Binding Sites List in 7gd2
Bromine binding site 1 out
of 2 in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862) within 5.0Å range:
|
Bromine binding site 2 out of 2 in 7gd2
Go back to
Bromine Binding Sites List in 7gd2
Bromine binding site 2 out
of 2 in the Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862)
Mono view
Stereo pair view
Mono view
Stereo pair view
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Group Deposition Sars-Cov-2 Main Protease in Complex with Inhibitors From the Covid Moonshot -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Bar-Com-0F94FC3D-3 (Mpro-X10862) within 5.0Å range:
|
Reference:
M.L.Boby,
D.Fearon,
M.Ferla,
M.Filep,
L.Koekemoer,
M.C.Robinson,
The Covid Moonshot Consortium,
J.D.Chodera,
A.A.Lee,
N.London,
A.Von Delft,
F.Von Delft.
Open Science Discovery of Potent Noncovalent Sars-Cov-2 Main Protease Inhibitors Science 2023.
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.ABO7201
Page generated: Thu Jul 11 03:56:40 2024
ISSN: ESSN 1095-9203
DOI: 10.1126/SCIENCE.ABO7201
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