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Chlorine in PDB 7gbo: 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 Jan-Ghe-83B26C96-20 (Mpro-X10392)

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 Jan-Ghe-83B26C96-20 (Mpro-X10392)

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 Jan-Ghe-83B26C96-20 (Mpro-X10392):
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 Jan-Ghe-83B26C96-20 (Mpro-X10392), PDB code: 7gbo 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) 55.73 / 1.62
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.766, 53.473, 44.959, 90, 101.55, 90
R / Rfree (%) 19.5 / 21.7

Chlorine Binding Sites:

The binding sites of Chlorine 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 Jan-Ghe-83B26C96-20 (Mpro-X10392) (pdb code 7gbo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was 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 Jan-Ghe-83B26C96-20 (Mpro-X10392), PDB code: 7gbo:

Chlorine binding site 1 out of 1 in 7gbo

Go back to Chlorine Binding Sites List in 7gbo
Chlorine binding site 1 out of 1 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 Jan-Ghe-83B26C96-20 (Mpro-X10392)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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 Jan-Ghe-83B26C96-20 (Mpro-X10392) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:41.9
occ:0.88
CL A:KY0404 0.0 41.9 0.9
C14 A:KY0404 1.7 40.9 0.9
C15 A:KY0404 2.7 40.4 0.9
C13 A:KY0404 2.7 41.0 0.9
CB A:ASP187 3.1 27.0 1.0
CA A:ASP187 3.2 28.0 1.0
ND1 A:HIS41 3.6 35.0 1.0
CB A:MET165 3.6 29.8 1.0
C A:ASP187 3.7 29.4 1.0
O A:HIS164 3.7 28.0 1.0
SD A:MET165 3.8 44.5 1.0
C12 A:KY0404 4.0 40.8 0.9
C10 A:KY0404 4.0 40.0 0.9
N A:ARG188 4.0 30.9 1.0
CG A:MET165 4.1 35.2 1.0
CE1 A:HIS41 4.1 35.0 1.0
O A:ASP187 4.2 29.0 1.0
CE A:MET49 4.2 43.6 1.0
C A:HIS164 4.3 26.9 1.0
CB A:HIS164 4.3 25.1 1.0
O A:HOH637 4.4 28.7 1.0
C11 A:KY0404 4.5 40.5 0.9
CG A:HIS41 4.5 32.8 1.0
N A:ASP187 4.5 27.8 1.0
CA A:MET165 4.6 28.1 1.0
CZ A:PHE181 4.6 26.5 1.0
CG A:ASP187 4.6 28.9 1.0
O A:VAL186 4.7 30.3 1.0
N A:MET165 4.8 26.4 1.0
CE A:MET165 4.8 40.6 1.0
CB A:HIS41 4.9 29.2 1.0
CA A:HIS164 4.9 24.8 1.0
ND1 A:HIS164 4.9 26.1 1.0

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: Sun Jul 13 01:20:14 2025

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