Fluorine in PDB 7ozk: Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril

The binding sites of Fluorine atom in the Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril (pdb code 7ozk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril, PDB code: 7ozk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:86.1 occ:1.00 F1 A:W11400 0.0 86.1 1.0 CM4 A:W11400 1.3 52.6 1.0 F3 A:W11400 2.1 443.6 1.0 F2 A:W11400 2.1 535.5 1.0 C3A A:W11400 2.3 98.8 1.0 N3A A:W11400 3.1 105.3 1.0 CD2 A:LEU187 3.1 37.7 1.0 O1A A:W11400 3.3 304.6 1.0 O A:PRO174 4.0 40.7 1.0 C A:PRO174 4.0 15.4 1.0 CB A:PRO174 4.1 14.9 1.0 C2A A:W11400 4.2 123.7 1.0 N A:SER175 4.2 14.2 1.0 C A:SER175 4.2 15.8 1.0 N A:VAL176 4.3 19.3 1.0 CA A:SER175 4.3 25.4 1.0 CB C:ALA24 4.3 25.6 1.0 N1A A:W11400 4.3 106.3 1.0 CG A:LEU187 4.3 26.2 1.0 CD1 A:LEU187 4.4 63.4 1.0 O A:ALA150 4.5 38.8 1.0 CG1 A:VAL176 4.5 21.0 1.0 CB A:VAL176 4.5 20.9 1.0 CA A:PRO174 4.7 14.2 1.0 O A:SER175 4.7 34.6 1.0 CB A:TYR152 4.8 11.5 1.0 N A:TYR152 5.0 16.1 1.0

Fluorine binding site 2 out of 3 in the Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:535.5 occ:1.00 F2 A:W11400 0.0 535.5 1.0 CM4 A:W11400 1.3 52.6 1.0 F3 A:W11400 2.1 443.6 1.0 F1 A:W11400 2.1 86.1 1.0 C3A A:W11400 2.3 98.8 1.0 O A:ALA150 2.5 38.8 1.0 O1A A:W11400 2.7 304.6 1.0 N A:VAL176 3.2 19.3 1.0 CG1 A:VAL176 3.3 21.0 1.0 C A:ALA150 3.4 10.7 1.0 N3A A:W11400 3.5 105.3 1.0 C A:SER175 3.7 15.8 1.0 CA A:SER175 3.7 25.4 1.0 CB A:VAL176 3.8 20.9 1.0 CB A:ALA150 3.8 11.8 1.0 O A:PRO174 4.0 40.7 1.0 CD2 A:LEU187 4.1 37.7 1.0 N1A A:W11400 4.1 106.3 1.0 CA A:VAL176 4.1 17.7 1.0 N A:MET151 4.2 23.9 1.0 CA A:ALA150 4.2 21.1 1.0 N A:SER175 4.3 14.2 1.0 N A:TYR152 4.3 16.1 1.0 C2A A:W11400 4.3 123.7 1.0 CA A:MET151 4.4 9.8 1.0 C A:PRO174 4.4 15.4 1.0 O A:SER175 4.6 34.6 1.0 CD1 A:LEU227 4.7 54.8 1.0 C A:MET151 4.7 9.7 1.0 O A:VAL176 4.8 28.4 1.0 CB A:SER175 4.9 10.2 1.0 N A:ALA150 4.9 17.9 1.0

Fluorine binding site 3 out of 3 in the Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryoem Structure of Human Enterovirus 70 in Complex with Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:443.6 occ:1.00 F3 A:W11400 0.0 443.6 1.0 CM4 A:W11400 1.3 52.6 1.0 F1 A:W11400 2.1 86.1 1.0 F2 A:W11400 2.1 535.5 1.0 C3A A:W11400 2.3 98.8 1.0 O A:PRO174 2.6 40.7 1.0 N3A A:W11400 2.8 105.3 1.0 N A:TYR152 2.9 16.1 1.0 C A:PRO174 3.2 15.4 1.0 CB A:TYR152 3.2 11.5 1.0 O1A A:W11400 3.4 304.6 1.0 CA A:TYR152 3.6 22.3 1.0 O A:ALA150 3.6 38.8 1.0 C A:MET151 3.8 9.7 1.0 N A:SER175 3.8 14.2 1.0 CA A:SER175 3.8 25.4 1.0 CB A:PRO174 3.9 14.9 1.0 CA A:MET151 3.9 9.8 1.0 C2A A:W11400 4.1 123.7 1.0 CA A:PRO174 4.2 14.2 1.0 C A:ALA150 4.2 10.7 1.0 N A:MET151 4.4 23.9 1.0 C A:SER175 4.4 15.8 1.0 N1A A:W11400 4.4 106.3 1.0 N A:VAL176 4.6 19.3 1.0 CD1 A:LEU227 4.6 54.8 1.0 CG A:TYR152 4.6 30.6 1.0 C A:TYR152 4.8 15.4 1.0 O A:MET151 4.8 34.0 1.0 O A:TYR152 4.9 43.4 1.0 CB A:SER175 5.0 10.2 1.0 CG A:PRO174 5.0 26.3 1.0

T.Fuzik, J.Moravcova, S.Kalynych, P.Plevka. Structure of Human Enterovirus 70 and Its Inhibition By Capsid-Binding Compounds. J.Virol. V. 96 60422 2022.
ISSN: ESSN 1098-5514
PubMed: 35939401
DOI: 10.1128/JVI.00604-22