Atomistry » Chlorine » PDB 7ggf-7ghx » 7ghg
Atomistry »
  Chlorine »
    PDB 7ggf-7ghx »
      7ghg »

Chlorine in PDB 7ghg: 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 Dav-Cri-3EDB475E-4 (Mpro-X3324)

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 Dav-Cri-3EDB475E-4 (Mpro-X3324)

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 Dav-Cri-3EDB475E-4 (Mpro-X3324):
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 Dav-Cri-3EDB475E-4 (Mpro-X3324), PDB code: 7ghg 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) 56.05 / 1.45
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.157, 53.659, 44.229, 90, 100.87, 90
R / Rfree (%) 17.9 / 20.9

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 Dav-Cri-3EDB475E-4 (Mpro-X3324) (pdb code 7ghg). 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 Dav-Cri-3EDB475E-4 (Mpro-X3324), PDB code: 7ghg:

Chlorine binding site 1 out of 1 in 7ghg

Go back to Chlorine Binding Sites List in 7ghg
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 Dav-Cri-3EDB475E-4 (Mpro-X3324)


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 Dav-Cri-3EDB475E-4 (Mpro-X3324) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1001

b:27.3
occ:0.88
 CL1 A:Q691001 0.0 27.3 0.9
C8 A:Q691001 1.7 27.9 0.9
C9 A:Q691001 2.7 28.6 0.9
C7 A:Q691001 2.7 28.5 0.9
CB A:ASP187 3.1 14.5 1.0
CA A:ASP187 3.4 15.1 1.0
ND1 A:HIS41 3.5 21.4 1.0
O A:HIS164 3.7 13.8 1.0
C A:ASP187 3.7 16.1 1.0
SD A:MET165 3.8 24.8 1.0
CB A:MET165 3.8 16.4 1.0
CE1 A:HIS41 3.9 22.1 1.0
C6 A:Q691001 4.0 29.0 0.9
C4 A:Q691001 4.0 29.7 0.9
CE A:MET49 4.0 27.9 1.0
O A:HOH1254 4.2 16.3 1.0
N A:ARG188 4.2 16.7 1.0
CG A:HIS41 4.2 18.7 1.0
O A:ASP187 4.2 16.7 1.0
CB A:HIS164 4.2 11.9 1.0
CG A:MET165 4.3 19.7 1.0
C A:HIS164 4.3 13.4 1.0
C5 A:Q691001 4.5 29.4 0.9
CG A:ASP187 4.5 15.3 1.0
CB A:HIS41 4.6 16.1 1.0
N A:ASP187 4.7 15.8 1.0
OH A:TYR54 4.8 16.9 1.0
NE2 A:HIS41 4.8 21.6 1.0
CA A:HIS164 4.8 12.6 1.0
ND1 A:HIS164 4.9 12.7 1.0
CZ A:PHE181 4.9 13.9 1.0
CA A:MET165 4.9 14.1 1.0
N A:MET165 4.9 13.0 1.0
CD2 A:HIS41 4.9 20.3 1.0
OD2 A:ASP187 4.9 17.0 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 01:28:07 2025

Last articles

Mg in 6T0I
Mg in 6T0H
Mg in 6T0G
Mg in 6SWC
Mg in 6T0B
Mg in 6T0E
Mg in 6SZV
Mg in 6SZU
Mg in 6SW9
Mg in 6SZO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy