Atomistry » Chlorine » PDB 7gen-7ggb » 7geu
Atomistry »
  Chlorine »
    PDB 7gen-7ggb »
      7geu »

Chlorine in PDB 7geu: 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 Edj-Med-50FE53E8-1 (Mpro-X11508)

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 Edj-Med-50FE53E8-1 (Mpro-X11508)

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 Edj-Med-50FE53E8-1 (Mpro-X11508):
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 Edj-Med-50FE53E8-1 (Mpro-X11508), PDB code: 7geu 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) 33.79 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.463, 53.027, 44.462, 90, 103.14, 90
R / Rfree (%) 17.5 / 21.1

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 Edj-Med-50FE53E8-1 (Mpro-X11508) (pdb code 7geu). 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 Edj-Med-50FE53E8-1 (Mpro-X11508), PDB code: 7geu:

Chlorine binding site 1 out of 1 in 7geu

Go back to Chlorine Binding Sites List in 7geu
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 Edj-Med-50FE53E8-1 (Mpro-X11508)


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 Edj-Med-50FE53E8-1 (Mpro-X11508) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:24.8
occ:1.00
CL A:NVO404 0.0 24.8 1.0
C A:NVO404 1.7 22.8 1.0
C15 A:NVO404 2.7 22.0 1.0
C1 A:NVO404 2.7 23.2 1.0
ND1 A:HIS41 3.2 17.2 1.0
CB A:ASP187 3.2 16.6 1.0
CA A:ASP187 3.4 17.3 1.0
CE1 A:HIS41 3.8 17.0 1.0
O A:HIS164 3.8 13.8 1.0
SD A:MET165 3.8 21.7 1.0
C A:ASP187 3.9 18.4 1.0
CB A:MET165 3.9 15.9 1.0
CG A:HIS41 3.9 16.3 1.0
CE A:MET49 4.0 40.1 1.0
C2 A:NVO404 4.0 22.6 1.0
C4 A:NVO404 4.0 20.8 1.0
O A:HOH588 4.1 13.9 1.0
CB A:HIS41 4.2 15.4 1.0
CB A:HIS164 4.3 12.5 1.0
O A:ASP187 4.3 17.7 1.0
N A:ARG188 4.3 21.2 1.0
C A:HIS164 4.4 13.3 1.0
CG A:MET165 4.4 17.8 1.0
C3 A:NVO404 4.5 21.7 1.0
CG A:ASP187 4.6 16.2 1.0
NE2 A:HIS41 4.7 17.2 1.0
CD2 A:HIS41 4.7 16.7 1.0
N A:ASP187 4.8 16.4 1.0
OH A:TYR54 4.8 18.6 1.0
ND1 A:HIS164 4.9 12.4 1.0
CA A:HIS164 4.9 13.2 1.0
CA A:MET165 5.0 14.8 1.0
CZ A:PHE181 5.0 13.5 1.0
N A:MET165 5.0 13.6 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 01:23:38 2025

Last articles

F in 8U57
F in 8U9Z
F in 8U9Q
F in 8U9P
F in 8U9C
F in 8U8I
F in 8U9M
F in 8U7T
F in 8U8A
F in 8U8B
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy