Atomistry » Chlorine » PDB 7gbq-7gen » 7gek
Atomistry »
  Chlorine »
    PDB 7gbq-7gen »
      7gek »

Chlorine in PDB 7gek: 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 Pet-Unk-8DF914D1-4 (Mpro-X11473)

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 Pet-Unk-8DF914D1-4 (Mpro-X11473)

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 Pet-Unk-8DF914D1-4 (Mpro-X11473):
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 Pet-Unk-8DF914D1-4 (Mpro-X11473), PDB code: 7gek 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) 55.93 / 1.41
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.954, 53.43, 44.479, 90, 101.02, 90
R / Rfree (%) 17.3 / 21.4

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 Pet-Unk-8DF914D1-4 (Mpro-X11473) (pdb code 7gek). 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 Pet-Unk-8DF914D1-4 (Mpro-X11473), PDB code: 7gek:

Chlorine binding site 1 out of 1 in 7gek

Go back to Chlorine Binding Sites List in 7gek
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 Pet-Unk-8DF914D1-4 (Mpro-X11473)


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 Pet-Unk-8DF914D1-4 (Mpro-X11473) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:26.8
occ:1.00
CL A:NOI404 0.0 26.8 1.0
C10 A:NOI404 1.7 26.7 1.0
C9 A:NOI404 2.7 27.1 1.0
C11 A:NOI404 2.7 26.4 1.0
ND1 A:HIS41 3.3 18.2 1.0
CB A:ASP187 3.4 15.6 1.0
CA A:ASP187 3.6 16.9 1.0
O A:HIS164 3.7 15.2 1.0
CE1 A:HIS41 3.7 18.0 1.0
CB A:MET165 3.8 19.5 1.0
SD A:MET165 3.9 28.7 1.0
C A:ASP187 4.0 17.8 1.0
CG A:HIS41 4.0 17.4 1.0
C8 A:NOI404 4.0 28.5 1.0
C6 A:NOI404 4.0 26.2 1.0
CE A:MET49 4.0 35.9 1.0
O A:HOH600 4.2 13.9 1.0
O A:ASP187 4.3 17.4 1.0
C A:HIS164 4.3 14.5 1.0
CE A:MET165 4.3 23.0 1.0
CB A:HIS164 4.3 12.9 1.0
CG A:MET165 4.4 21.3 1.0
CB A:HIS41 4.5 16.8 1.0
C7 A:NOI404 4.5 27.1 1.0
N A:ARG188 4.5 19.7 1.0
NE2 A:HIS41 4.5 18.9 1.0
CD2 A:HIS41 4.6 18.0 1.0
CG A:ASP187 4.7 15.4 1.0
CA A:MET165 4.8 17.2 1.0
N A:MET165 4.9 15.6 1.0
OH A:TYR54 4.9 14.4 1.0
CA A:HIS164 4.9 13.5 1.0
N A:ASP187 4.9 16.5 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 01:23:02 2025

Last articles

Mn in 1JLK
Mn in 1JK7
Mn in 1JFZ
Mn in 1JJC
Mn in 1JG7
Mn in 1JAW
Mn in 1JBC
Mn in 1J54
Mn in 1JA8
Mn in 1J58
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy