Atomistry » Fluorine » PDB 7gba-7gkf » 7ge5
Atomistry »
  Fluorine »
    PDB 7gba-7gkf »
      7ge5 »

Fluorine in PDB 7ge5: 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 Eri-Ucb-5B47150D-6 (Mpro-X11339)

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 Eri-Ucb-5B47150D-6 (Mpro-X11339)

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 Eri-Ucb-5B47150D-6 (Mpro-X11339):
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 Eri-Ucb-5B47150D-6 (Mpro-X11339), PDB code: 7ge5 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) 56.12 / 1.64
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 114.315, 53.489, 44.394, 90, 100.92, 90
R / Rfree (%) 19.2 / 22.5

Fluorine Binding Sites:

The binding sites of Fluorine 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 Eri-Ucb-5B47150D-6 (Mpro-X11339) (pdb code 7ge5). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine 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 Eri-Ucb-5B47150D-6 (Mpro-X11339), PDB code: 7ge5:

Fluorine binding site 1 out of 1 in 7ge5

Go back to Fluorine Binding Sites List in 7ge5
Fluorine 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 Eri-Ucb-5B47150D-6 (Mpro-X11339)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F 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 Eri-Ucb-5B47150D-6 (Mpro-X11339) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:25.8
occ:0.62
F A:N7L404 0.0 25.8 0.6
C10 A:N7L404 1.4 25.4 0.6
C9 A:N7L404 2.4 24.7 0.6
CB A:MET165 2.8 21.0 1.0
CE A:MET165 2.9 42.1 1.0
SD A:MET165 2.9 45.3 1.0
CG A:MET165 3.5 27.3 1.0
O A:HIS164 3.5 18.4 1.0
C7 A:N7L404 3.6 24.2 0.6
CA A:ASP187 3.7 20.1 1.0
C8 A:N7L404 3.8 24.6 0.6
CB A:ASP187 4.0 19.2 1.0
C A:ASP187 4.0 20.5 1.0
CA A:MET165 4.0 19.0 1.0
N A:ARG188 4.1 21.4 1.0
CE A:MET49 4.1 37.7 1.0
C A:HIS164 4.1 17.8 1.0
ND1 A:HIS41 4.2 22.8 1.0
O A:N7L404 4.3 22.2 0.6
C6 A:N7L404 4.4 22.9 0.6
N A:MET165 4.4 17.4 1.0
CE1 A:HIS41 4.5 22.9 1.0
O A:VAL186 4.5 23.4 1.0
O A:ASP187 4.7 20.2 1.0
CB A:HIS164 4.8 15.6 1.0
O A:ARG188 4.8 23.2 1.0
N A:ASP187 4.9 21.1 1.0
O A:HOH688 4.9 36.6 1.0
C A:ARG188 5.0 23.9 1.0
CA A:ARG188 5.0 23.0 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: Tue Jul 15 20:10:54 2025

Last articles

Mg in 5NOL
Mg in 5NOJ
Mg in 5NOG
Mg in 5NO9
Mg in 5NNW
Mg in 5NO1
Mg in 5NLM
Mg in 5NMX
Mg in 5NMW
Mg in 5NH7
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy