Atomistry » Chlorine » PDB 7gbp-7gem » 7gdp
Atomistry »
  Chlorine »
    PDB 7gbp-7gem »
      7gdp »

Chlorine in PDB 7gdp: 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 Nau-Lat-8502CAC5-2 (Mpro-X11186)

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 Nau-Lat-8502CAC5-2 (Mpro-X11186)

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 Nau-Lat-8502CAC5-2 (Mpro-X11186):
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 Nau-Lat-8502CAC5-2 (Mpro-X11186), PDB code: 7gdp 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) 55.43 / 1.82
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.191, 53.247, 44.49, 90, 101.63, 90
R / Rfree (%) 19.6 / 23.9

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 Nau-Lat-8502CAC5-2 (Mpro-X11186) (pdb code 7gdp). 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 Nau-Lat-8502CAC5-2 (Mpro-X11186), PDB code: 7gdp:

Chlorine binding site 1 out of 1 in 7gdp

Go back to Chlorine Binding Sites List in 7gdp
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 Nau-Lat-8502CAC5-2 (Mpro-X11186)


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 Nau-Lat-8502CAC5-2 (Mpro-X11186) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl405

b:38.6
occ:0.78
CL A:MVX405 0.0 38.6 0.8
C A:MVX405 1.7 38.0 0.8
C13 A:MVX405 2.7 37.7 0.8
C1 A:MVX405 2.7 38.1 0.8
CB A:ASP187 3.1 26.7 1.0
ND1 A:HIS41 3.3 33.4 1.0
CA A:ASP187 3.4 28.3 1.0
C A:ASP187 3.7 30.0 1.0
CE A:MET49 3.8 45.0 1.0
CE1 A:HIS41 3.9 33.6 1.0
CG A:HIS41 3.9 30.7 1.0
SD A:MET165 4.0 36.8 1.0
C12 A:MVX405 4.0 37.4 0.8
C2 A:MVX405 4.0 38.0 0.8
O A:HIS164 4.1 27.5 1.0
CB A:MET165 4.1 29.5 1.0
O A:ASP187 4.1 29.5 1.0
N A:ARG188 4.1 31.7 1.0
O A:HOH561 4.1 22.0 1.0
CB A:HIS41 4.2 27.8 1.0
CG A:MET165 4.4 31.9 1.0
C3 A:MVX405 4.5 37.7 0.8
CG A:ASP187 4.5 29.1 1.0
C A:HIS164 4.6 27.0 1.0
OH A:TYR54 4.6 29.2 1.0
CB A:HIS164 4.7 24.7 1.0
NE2 A:HIS41 4.7 33.2 1.0
CD2 A:HIS41 4.7 31.9 1.0
N A:ASP187 4.7 28.8 1.0
OD2 A:ASP187 4.9 30.1 1.0
ND1 A:HIS164 5.0 24.5 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 01:22:09 2025

Last articles

Fe in 2G5G
Fe in 2G3H
Fe in 2G36
Fe in 2G1M
Fe in 2G19
Fe in 2G14
Fe in 2G12
Fe in 2G11
Fe in 2G10
Fe in 2G0Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy