Atomistry » Fluorine » PDB 7giu-7grv » 7gjo
Atomistry »
  Fluorine »
    PDB 7giu-7grv »
      7gjo »

Fluorine in PDB 7gjo: 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 Mat-Pos-A13804F0-3 (Mpro-P0607)

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 Mat-Pos-A13804F0-3 (Mpro-P0607)

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 Mat-Pos-A13804F0-3 (Mpro-P0607):
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 Mat-Pos-A13804F0-3 (Mpro-P0607), PDB code: 7gjo 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) 71.19 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.16, 98.59, 102.89, 90, 90, 90
R / Rfree (%) 23.2 / 28.3

Other elements in 7gjo:

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 Mat-Pos-A13804F0-3 (Mpro-P0607) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

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 Mat-Pos-A13804F0-3 (Mpro-P0607) (pdb code 7gjo). 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 Mat-Pos-A13804F0-3 (Mpro-P0607), PDB code: 7gjo:

Fluorine binding site 1 out of 1 in 7gjo

Go back to Fluorine Binding Sites List in 7gjo
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 Mat-Pos-A13804F0-3 (Mpro-P0607)


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 Mat-Pos-A13804F0-3 (Mpro-P0607) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:53.6
occ:0.70
 F A:QIZ404 0.0 53.6 0.7
C A:QIZ404 1.4 53.5 0.7
C1 A:QIZ404 2.3 53.6 0.7
C18 A:QIZ404 2.4 53.2 0.7
CE A:MET165 2.9 58.5 1.0
CL A:QIZ404 2.9 52.9 0.7
C A:ARG188 3.0 59.0 1.0
O A:ARG188 3.2 58.9 1.0
CE A:MET49 3.3 87.1 1.0
N A:ARG188 3.4 54.3 1.0
N A:GLN189 3.4 61.2 1.0
CA A:ARG188 3.6 56.5 1.0
C2 A:QIZ404 3.6 53.7 0.7
C17 A:QIZ404 3.6 53.2 0.7
C A:ASP187 3.9 52.8 1.0
CA A:GLN189 3.9 64.2 1.0
C16 A:QIZ404 4.1 53.4 0.7
CA A:ASP187 4.4 51.0 1.0
CG A:GLN189 4.4 74.3 1.0
O A:ASP187 4.4 52.5 1.0
CB A:GLN189 4.5 67.3 1.0
CG A:MET49 4.5 83.7 1.0
C1 A:DMS403 4.6 93.4 1.0
SD A:MET49 4.6 89.5 1.0
SD A:MET165 4.6 60.8 1.0
S A:DMS403 4.7 93.3 1.0
O A:QIZ404 4.7 54.0 0.7
CB A:MET165 4.7 45.9 1.0
O A:VAL186 4.8 49.9 1.0
O A:MET49 4.9 77.2 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: Fri Aug 2 07:39:30 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy