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Chlorine in PDB 7gjo: 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 Mat-Pos-A13804F0-3 (Mpro-P0607)

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 Mat-Pos-A13804F0-3 (Mpro-P0607)

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 Mat-Pos-A13804F0-3 (Mpro-P0607):
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 Mat-Pos-A13804F0-3 (Mpro-P0607), PDB code: 7gjo 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) 71.19 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.16, 98.59, 102.89, 90, 90, 90
R / Rfree (%) 23.2 / 28.3

Other elements in 7gjo:

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 Mat-Pos-A13804F0-3 (Mpro-P0607) also contains other interesting chemical elements:

Fluorine (F) 1 atom

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 Mat-Pos-A13804F0-3 (Mpro-P0607) (pdb code 7gjo). 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 Mat-Pos-A13804F0-3 (Mpro-P0607), PDB code: 7gjo:

Chlorine binding site 1 out of 1 in 7gjo

Go back to Chlorine Binding Sites List in 7gjo
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 Mat-Pos-A13804F0-3 (Mpro-P0607)


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 Mat-Pos-A13804F0-3 (Mpro-P0607) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:52.9
occ:0.70
 CL A:QIZ404 0.0 52.9 0.7
C18 A:QIZ404 1.7 53.2 0.7
C A:QIZ404 2.7 53.5 0.7
C17 A:QIZ404 2.7 53.2 0.7
F A:QIZ404 2.9 53.6 0.7
CD2 A:HIS41 3.3 51.3 1.0
CE A:MET165 3.5 58.5 1.0
CB A:ASP187 3.6 51.9 1.0
CA A:ASP187 3.7 51.0 1.0
CG A:HIS41 3.8 50.4 1.0
NE2 A:HIS41 3.8 52.5 1.0
O A:HIS164 3.8 42.2 1.0
CB A:MET165 3.9 45.9 1.0
CE A:MET49 4.0 87.1 1.0
C1 A:QIZ404 4.0 53.6 0.7
C16 A:QIZ404 4.0 53.4 0.7
C A:ASP187 4.0 52.8 1.0
CG A:MET165 4.1 50.3 1.0
CB A:HIS41 4.3 48.3 1.0
C A:HIS164 4.4 41.4 1.0
CE1 A:HIS41 4.4 52.9 1.0
ND1 A:HIS41 4.4 52.3 1.0
N A:ARG188 4.4 54.3 1.0
SD A:MET165 4.5 60.8 1.0
O A:ASP187 4.5 52.5 1.0
C2 A:QIZ404 4.5 53.7 0.7
CB A:HIS164 4.7 38.2 1.0
CA A:MET165 4.8 44.4 1.0
N A:MET165 4.8 42.6 1.0
O A:HOH545 4.9 31.3 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 01:40:20 2025

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