Atomistry » Fluorine » PDB 5ray-5rm9 » 5rfn
Atomistry »
  Fluorine »
    PDB 5ray-5rm9 »
      5rfn »

Fluorine in PDB 5rfn: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Pcm-0102868

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Pcm-0102868, PDB code: 5rfn was solved by D.Fearon, C.D.Owen, A.Douangamath, P.Lukacik, A.J.Powell, C.M.Strain-Damerell, E.Resnick, T.Krojer, P.Gehrtz, C.Wild, A.Aimon, J.Brandao-Neto, A.Carbery, L.Dunnett, R.Skyner, M.Snee, N.London, 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) 54.68 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.250, 52.872, 44.476, 90.00, 103.02, 90.00
R / Rfree (%) 18.6 / 23.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Pcm-0102868 (pdb code 5rfn). 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 Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Pcm-0102868, PDB code: 5rfn:

Fluorine binding site 1 out of 1 in 5rfn

Go back to Fluorine Binding Sites List in 5rfn
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Pcm-0102868


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 Main Protease in Complex with Pcm-0102868 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:39.2
occ:0.72
F10 A:T7P404 0.0 39.2 0.7
C09 A:T7P404 1.4 39.8 0.7
C11 A:T7P404 2.3 38.6 0.7
C08 A:T7P404 2.3 40.6 0.7
CG A:MET49 2.9 43.2 1.0
SD A:MET49 3.3 42.7 1.0
CB A:CYS44 3.4 27.3 1.0
C12 A:T7P404 3.6 38.6 0.7
C07 A:T7P404 3.6 40.1 0.7
O A:HIS41 3.6 20.2 0.7
O A:THR45 3.7 48.9 1.0
O A:CYS44 3.7 35.7 1.0
C A:CYS44 4.0 34.5 1.0
C A:THR45 4.0 47.1 1.0
C06 A:T7P404 4.1 38.6 0.7
CE A:MET49 4.2 43.9 1.0
CA A:CYS44 4.2 29.0 1.0
N A:SER46 4.2 46.2 1.0
CB A:MET49 4.3 41.6 1.0
CB A:HIS41 4.3 21.4 0.7
CA A:SER46 4.4 48.0 1.0
N A:THR45 4.6 39.0 1.0
CG A:HIS41 4.6 21.7 0.7
C A:HIS41 4.6 20.8 0.7
SG A:CYS44 4.7 27.3 1.0
CA A:THR45 4.7 42.8 1.0
CD2 A:HIS41 4.8 21.8 0.7
N A:CYS44 4.8 27.2 1.0
O A:HOH768 4.9 57.3 0.7
CA A:HIS41 5.0 20.8 0.7

Reference:

D.Fearon, C.D.Owen, A.Douangamath, P.Lukacik, A.J.Powell, C.M.Strain-Damerell, E.Resnick, T.Krojer, P.Gehrtz, C.Wild, A.Aimon, J.Brandao-Neto, A.Carbery, L.Dunnett, R.Skyner, M.Snee, N.London, M.A.Walsh, F.Von Delft. Pandda Analysis Group Deposition of Sars-Cov-2 Mainprotease Fragment Screen To Be Published.
Page generated: Thu Aug 1 13:53:32 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