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Chlorine in PDB 7ghq: 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 Alp-Pos-64A710FA-1 (Mpro-P0016)

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 Alp-Pos-64A710FA-1 (Mpro-P0016)

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 Alp-Pos-64A710FA-1 (Mpro-P0016):
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 Alp-Pos-64A710FA-1 (Mpro-P0016), PDB code: 7ghq 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) 56.26 / 1.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.18, 98.53, 102.92, 90, 90, 90
R / Rfree (%) 21.9 / 25.1

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 Alp-Pos-64A710FA-1 (Mpro-P0016) (pdb code 7ghq). 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 Alp-Pos-64A710FA-1 (Mpro-P0016), PDB code: 7ghq:

Chlorine binding site 1 out of 1 in 7ghq

Go back to Chlorine Binding Sites List in 7ghq
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 Alp-Pos-64A710FA-1 (Mpro-P0016)


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 Alp-Pos-64A710FA-1 (Mpro-P0016) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:24.3
occ:1.00
 N A:GLN107 3.2 24.6 1.0
NE2 A:GLN110 3.3 24.1 1.0
CA A:ILE106 3.6 23.3 1.0
CB A:ILE106 3.8 23.5 1.0
CB A:GLN110 3.8 21.9 1.0
CG A:GLN110 3.8 22.9 1.0
C A:ILE106 3.9 24.2 1.0
CB A:GLN107 4.0 28.8 1.0
CD A:GLN110 4.1 25.2 1.0
CG2 A:ILE106 4.1 23.9 1.0
CA A:GLN107 4.2 25.7 1.0
CG A:GLN107 4.2 34.0 1.0
O A:GLN107 4.5 25.6 1.0
O A:HOH716 4.7 31.5 1.0
O A:ARG105 4.8 25.0 1.0
C A:GLN107 4.8 25.8 1.0
N A:ILE106 4.9 22.9 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 01:28:29 2025

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