Atomistry » Chlorine » PDB 7gj4-7gk8 » 7gjm
Atomistry »
  Chlorine »
    PDB 7gj4-7gk8 »
      7gjm »

Chlorine in PDB 7gjm: 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-E4B030D8-11 (Mpro-P0601)

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-E4B030D8-11 (Mpro-P0601)

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-E4B030D8-11 (Mpro-P0601):
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-E4B030D8-11 (Mpro-P0601), PDB code: 7gjm 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) 37.78 / 1.92
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.28, 98.85, 102.97, 90, 90, 90
R / Rfree (%) 23.5 / 27.6

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-E4B030D8-11 (Mpro-P0601) (pdb code 7gjm). 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-E4B030D8-11 (Mpro-P0601), PDB code: 7gjm:

Chlorine binding site 1 out of 1 in 7gjm

Go back to Chlorine Binding Sites List in 7gjm
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-E4B030D8-11 (Mpro-P0601)


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-E4B030D8-11 (Mpro-P0601) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl404

b:49.7
occ:0.72
 CL A:QP0404 0.0 49.7 0.7
C6 A:QP0404 1.7 49.4 0.7
C7 A:QP0404 2.7 48.9 0.7
C5 A:QP0404 2.7 49.3 0.7
CD2 A:HIS41 3.3 42.7 1.0
CB A:ASP187 3.4 39.4 1.0
CA A:ASP187 3.6 39.4 1.0
O A:HIS164 3.7 35.2 1.0
CB A:MET165 3.7 39.2 1.0
NE2 A:HIS41 3.8 44.2 1.0
CG A:MET165 3.9 43.4 1.0
SD A:MET165 3.9 52.6 1.0
CG A:HIS41 4.0 41.8 1.0
C4 A:QP0404 4.0 49.1 0.7
C8 A:QP0404 4.0 48.5 0.7
C A:HIS164 4.0 34.4 1.0
C A:ASP187 4.1 40.5 1.0
CB A:HIS164 4.1 31.7 1.0
CE A:MET49 4.3 75.6 1.0
C3 A:QP0404 4.5 48.9 0.7
CB A:HIS41 4.5 39.0 1.0
O A:HOH533 4.5 27.9 1.0
N A:MET165 4.5 35.4 1.0
O A:ASP187 4.6 40.5 1.0
N A:ARG188 4.6 41.6 1.0
CA A:MET165 4.6 37.4 1.0
CE1 A:HIS41 4.6 44.4 1.0
CA A:HIS164 4.6 32.0 1.0
ND1 A:HIS41 4.8 44.1 1.0
CD2 A:HIS164 4.8 31.8 1.0
CZ A:PHE181 4.8 35.6 1.0
N A:ASP187 4.8 39.6 1.0
CG A:ASP187 4.8 41.5 1.0
CG A:HIS164 4.9 31.5 1.0
O A:VAL186 5.0 40.9 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 01:40:04 2025

Last articles

Mg in 9N81
Mg in 9MQX
Mg in 9MX5
Mg in 9MTY
Mg in 9MS7
Mg in 9MOX
Mg in 9MOW
Mg in 9MOU
Mg in 9MOP
Mg in 9MOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy