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Chlorine in PDB 7ggb: 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-044491D2-7 (Mpro-X12300)

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-044491D2-7 (Mpro-X12300)

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-044491D2-7 (Mpro-X12300):
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-044491D2-7 (Mpro-X12300), PDB code: 7ggb 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) 54.85 / 1.38
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.572, 52.966, 44.503, 90, 102.98, 90
R / Rfree (%) 17.3 / 19.9

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-044491D2-7 (Mpro-X12300) (pdb code 7ggb). 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-044491D2-7 (Mpro-X12300), PDB code: 7ggb:

Chlorine binding site 1 out of 1 in 7ggb

Go back to Chlorine Binding Sites List in 7ggb
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-044491D2-7 (Mpro-X12300)


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-044491D2-7 (Mpro-X12300) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:28.2
occ:0.68
 CL A:OT6404 0.0 28.2 0.7
C10 A:OT6404 1.7 25.2 0.7
C11 A:OT6404 2.7 25.5 0.7
C9 A:OT6404 2.7 24.3 0.7
N A:GLN189 3.2 25.6 1.0
C A:ARG188 3.3 23.9 1.0
CA A:GLN189 3.3 26.7 1.0
O A:ARG188 3.4 22.6 1.0
O A:HOH591 3.5 33.6 1.0
CB A:GLN189 3.6 27.5 1.0
CE A:MET49 3.8 29.5 1.0
C12 A:OT6404 4.0 25.8 0.7
C8 A:OT6404 4.0 22.6 0.7
CA A:ARG188 4.1 23.7 1.0
N A:ARG188 4.2 21.0 1.0
CG A:GLN189 4.3 29.2 1.0
O A:HOH659 4.3 44.0 1.0
CB A:MET49 4.4 27.6 1.0
C18 A:OT6404 4.5 24.1 0.7
OE1 A:GLN189 4.6 30.9 1.0
O A:MET49 4.7 26.4 1.0
C A:GLN189 4.8 27.6 1.0
C A:ASP187 4.8 19.0 1.0
CG A:MET49 4.9 28.1 1.0
CD A:GLN189 4.9 30.2 1.0
SD A:MET165 4.9 28.8 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 01:26:03 2025

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