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

Chlorine in PDB 7geh: 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-06D94977-2 (Mpro-X11432)

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-06D94977-2 (Mpro-X11432)

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-06D94977-2 (Mpro-X11432):
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-06D94977-2 (Mpro-X11432), PDB code: 7geh 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) 48.33 / 1.23
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.22, 53.557, 44.5, 90, 100.83, 90
R / Rfree (%) 16.8 / 19.7

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 Edj-Med-06D94977-2 (Mpro-X11432) (pdb code 7geh). 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-06D94977-2 (Mpro-X11432), PDB code: 7geh:

Chlorine binding site 1 out of 1 in 7geh

Go back to Chlorine Binding Sites List in 7geh
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-06D94977-2 (Mpro-X11432)


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-06D94977-2 (Mpro-X11432) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:30.6
occ:1.00
CL A:NKU404 0.0 30.6 1.0
C6 A:NKU404 1.7 26.4 1.0
C7 A:NKU404 2.7 26.3 1.0
C5 A:NKU404 2.7 26.5 1.0
OH A:TYR54 3.6 12.6 1.0
O A:MET49 3.7 33.3 1.0
CG A:PRO52 3.7 21.8 1.0
CA A:MET49 3.7 41.6 1.0
SD A:MET49 3.8 56.5 1.0
O A:ASP187 3.9 14.7 1.0
C4 A:NKU404 4.0 25.8 1.0
C2 A:NKU404 4.0 25.7 1.0
SG A:CYS44 4.0 19.4 1.0
CB A:HIS41 4.2 13.7 1.0
C A:MET49 4.2 37.0 1.0
CB A:CYS44 4.3 19.4 1.0
CB A:MET49 4.4 45.9 1.0
CA A:ARG188 4.5 20.3 1.0
C3 A:NKU404 4.5 25.7 1.0
CD A:PRO52 4.5 22.2 1.0
C A:ASP187 4.6 15.6 1.0
N A:MET49 4.6 43.3 1.0
CZ A:TYR54 4.7 11.9 1.0
N A:GLN189 4.7 22.1 1.0
CG A:MET49 4.7 50.2 1.0
O A:ASP48 4.8 44.0 1.0
CE A:MET49 4.8 55.7 1.0
CG A:HIS41 4.8 14.6 1.0
N A:ARG188 4.8 18.0 1.0
CB A:PRO52 4.9 20.8 1.0
C A:ARG188 4.9 20.8 1.0
C A:ASP48 5.0 43.7 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 01:22:46 2025

Last articles

Mn in 1IT6
Mn in 1ITW
Mn in 1IPS
Mn in 1IMD
Mn in 1IR6
Mn in 1INO
Mn in 1ID3
Mn in 1IMC
Mn in 1ILX
Mn in 1II7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy