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Chlorine in PDB 7gdc: 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 Lon-Wei-0A73FCB8-7 (Mpro-X10942)

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 Lon-Wei-0A73FCB8-7 (Mpro-X10942)

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 Lon-Wei-0A73FCB8-7 (Mpro-X10942):
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 Lon-Wei-0A73FCB8-7 (Mpro-X10942), PDB code: 7gdc 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) 56.13 / 1.72
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.304, 53.756, 44.197, 90, 100.88, 90
R / Rfree (%) 17.8 / 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 Lon-Wei-0A73FCB8-7 (Mpro-X10942) (pdb code 7gdc). 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 Lon-Wei-0A73FCB8-7 (Mpro-X10942), PDB code: 7gdc:

Chlorine binding site 1 out of 1 in 7gdc

Go back to Chlorine Binding Sites List in 7gdc
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 Lon-Wei-0A73FCB8-7 (Mpro-X10942)


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 Lon-Wei-0A73FCB8-7 (Mpro-X10942) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl403

b:21.0
occ:1.00
 CL A:M93403 0.0 21.0 1.0
C13 A:M93403 1.7 21.4 1.0
C14 A:M93403 2.7 21.4 1.0
C12 A:M93403 2.7 22.4 1.0
CB A:ASP187 3.3 13.3 1.0
ND1 A:HIS41 3.4 20.1 1.0
O A:HIS164 3.6 13.1 1.0
CA A:ASP187 3.6 14.3 1.0
CE1 A:HIS41 3.8 21.1 1.0
CB A:MET165 3.8 16.2 1.0
SD A:MET165 3.9 26.9 1.0
CB A:HIS164 4.0 11.2 1.0
C11 A:M93403 4.0 23.2 1.0
C15 A:M93403 4.0 22.3 1.0
C A:HIS164 4.0 12.9 1.0
O A:HOH646 4.1 11.9 1.0
CG A:MET165 4.1 20.9 1.0
C A:ASP187 4.1 15.9 1.0
CE A:MET49 4.3 30.6 1.0
CG A:HIS41 4.3 17.5 1.0
C10 A:M93403 4.5 23.3 1.0
CA A:MET165 4.5 14.4 1.0
N A:MET165 4.6 13.3 1.0
O A:ASP187 4.6 16.2 1.0
CA A:HIS164 4.6 11.8 1.0
N A:ARG188 4.6 16.9 1.0
ND1 A:HIS164 4.7 10.9 1.0
CB A:HIS41 4.7 14.7 1.0
CZ A:PHE181 4.7 13.1 1.0
CG A:ASP187 4.7 12.7 1.0
NE2 A:HIS41 4.8 21.1 1.0
CG A:HIS164 4.9 10.6 1.0
N A:ASP187 4.9 14.7 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 01:21:35 2025

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