Fluorine in PDB 8ayy: Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril

The binding sites of Fluorine atom in the Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril (pdb code 8ayy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril, PDB code: 8ayy:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:21.0 occ:1.00 F1 A:W11401 0.0 21.0 1.0 CM4 A:W11401 1.3 21.0 1.0 F3 A:W11401 2.1 21.0 1.0 F2 A:W11401 2.1 21.0 1.0 C3A A:W11401 2.4 21.0 1.0 N3A A:W11401 3.1 21.0 1.0 O1A A:W11401 3.3 21.0 1.0 N A:TYR157 3.4 19.8 1.0 CB A:TYR157 3.4 19.8 1.0 O A:ILE155 3.6 20.1 1.0 O A:PRO179 3.7 19.4 1.0 C A:MET156 3.8 20.5 1.0 CA A:TYR157 3.9 19.8 1.0 CA A:MET156 4.1 20.5 1.0 C A:ILE155 4.2 20.1 1.0 CD2 A:LEU239 4.2 20.5 1.0 C2A A:W11401 4.2 21.0 1.0 C A:PRO179 4.3 19.4 1.0 N A:MET156 4.3 20.5 1.0 CG2 A:ILE155 4.4 20.1 1.0 N1A A:W11401 4.4 21.0 1.0 CA A:SER180 4.4 18.8 1.0 O A:MET156 4.5 20.5 1.0 CG1 A:ILE181 4.6 18.8 1.0 N A:SER180 4.6 18.8 1.0 CD1 A:ILE181 4.7 18.8 1.0 CG A:TYR157 4.7 19.8 1.0 N A:ILE181 4.8 18.8 1.0 C A:SER180 4.9 18.8 1.0 CG A:PRO179 4.9 19.4 1.0 CB A:PRO179 5.0 19.4 1.0 CB A:ILE155 5.0 20.1 1.0

Fluorine binding site 2 out of 3 in the Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:21.0 occ:1.00 F2 A:W11401 0.0 21.0 1.0 CM4 A:W11401 1.3 21.0 1.0 F3 A:W11401 2.1 21.0 1.0 F1 A:W11401 2.1 21.0 1.0 C3A A:W11401 2.4 21.0 1.0 O1A A:W11401 2.6 21.0 1.0 CG1 A:ILE181 3.5 18.8 1.0 N3A A:W11401 3.6 21.0 1.0 CD1 A:ILE181 3.7 18.8 1.0 C A:PRO179 4.0 19.4 1.0 CB A:PRO179 4.0 19.4 1.0 N1A A:W11401 4.0 21.0 1.0 O A:PRO179 4.0 19.4 1.0 N A:SER180 4.0 18.8 1.0 CA A:SER180 4.2 18.8 1.0 C A:SER180 4.2 18.8 1.0 CB C:ALA24 4.3 20.2 1.0 C2A A:W11401 4.3 21.0 1.0 N A:ILE181 4.4 18.8 1.0 CG A:PRO179 4.4 19.4 1.0 O A:SER180 4.6 18.8 1.0 O A:ILE155 4.6 20.1 1.0 CA A:PRO179 4.7 19.4 1.0 CB A:ILE181 4.8 18.8 1.0 CB A:TYR157 4.8 19.8 1.0

Fluorine binding site 3 out of 3 in the Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Poliovirus Type 3 (Strain Saukett) Stabilised Virus-Like Particle (PV3 SC8) in Complex with Gsh and Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:21.0 occ:1.00 F3 A:W11401 0.0 21.0 1.0 CM4 A:W11401 1.3 21.0 1.0 F1 A:W11401 2.1 21.0 1.0 F2 A:W11401 2.1 21.0 1.0 C3A A:W11401 2.3 21.0 1.0 N3A A:W11401 2.9 21.0 1.0 CD1 A:ILE181 3.1 18.8 1.0 O1A A:W11401 3.4 21.0 1.0 CG1 A:ILE181 3.6 18.8 1.0 C2A A:W11401 4.2 21.0 1.0 CZ A:PHE134 4.3 18.9 1.0 CG1 A:ILE192 4.3 19.7 1.0 CG2 A:ILE155 4.4 20.1 1.0 N1A A:W11401 4.4 21.0 1.0 CD1 A:ILE192 4.5 19.7 1.0 CE1 A:PHE134 4.6 18.9 1.0 O A:ILE155 4.6 20.1 1.0 CB A:ILE181 4.7 18.8 1.0 CD2 A:LEU239 4.9 20.5 1.0 CG2 A:ILE192 4.9 19.7 1.0

M.W.Bahar, V.Nasta, H.Fox, L.Sherry, K.Grehan, C.Porta, A.J.Macadam, N.J.Stonehouse, D.J.Rowlands, E.E.Fry, D.I.Stuart. A Conserved Glutathione Binding Site in Poliovirus Is A Target For Antivirals and Vaccine Stabilisation. Commun Biol V. 5 1293 2022.
ISSN: ESSN 2399-3642
PubMed: 36434067
DOI: 10.1038/S42003-022-04252-5