Fluorine in PDB 7taf: Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092 (pdb code 7taf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092, PDB code: 7taf:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:18.1 occ:1.00 F24 A:GFI301 0.0 18.1 1.0 C22 A:GFI301 1.3 18.1 1.0 F26 A:GFI301 2.1 18.1 1.0 F25 A:GFI301 2.1 18.1 1.0 C21 A:GFI301 2.4 18.1 1.0 N20 A:GFI301 3.0 18.1 1.0 O A:ALA169 3.3 18.7 1.0 CD1 A:ILE182 3.6 14.5 1.0 CB A:ALA169 3.6 18.7 1.0 O23 A:GFI301 3.6 18.1 1.0 C A:ALA169 3.7 18.7 1.0 CB A:PHE147 3.9 19.3 1.0 CB C:ALA24 4.1 13.5 1.0 CA A:ALA169 4.3 18.7 1.0 C18 A:GFI301 4.3 18.1 1.0 N A:SER170 4.4 17.8 1.0 N A:PHE147 4.4 19.3 1.0 O A:ALA145 4.5 18.2 1.0 CA A:SER170 4.6 17.8 1.0 N19 A:GFI301 4.6 18.1 1.0 CG1 A:ILE182 4.7 14.5 1.0 C A:SER170 4.8 17.8 1.0 CA A:PHE147 4.8 19.3 1.0 N A:VAL171 4.8 16.6 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:18.1 occ:1.00 F25 A:GFI301 0.0 18.1 1.0 C22 A:GFI301 1.3 18.1 1.0 F26 A:GFI301 2.1 18.1 1.0 F24 A:GFI301 2.1 18.1 1.0 C21 A:GFI301 2.4 18.1 1.0 O23 A:GFI301 2.8 18.1 1.0 O A:ALA145 3.0 18.2 1.0 CG1 A:VAL171 3.2 16.6 1.0 N A:VAL171 3.6 16.6 1.0 N20 A:GFI301 3.6 18.1 1.0 CB A:VAL171 3.7 16.6 1.0 C A:ALA145 3.9 18.2 1.0 O A:ALA169 4.0 18.7 1.0 CD1 A:ILE182 4.0 14.5 1.0 C A:SER170 4.1 17.8 1.0 N19 A:GFI301 4.1 18.1 1.0 CB A:ALA145 4.2 18.2 1.0 CA A:SER170 4.2 17.8 1.0 CA A:VAL171 4.2 16.6 1.0 C18 A:GFI301 4.5 18.1 1.0 C A:ALA169 4.5 18.7 1.0 CA A:ALA145 4.6 18.2 1.0 CG1 A:ILE182 4.6 14.5 1.0 N A:SER170 4.6 17.8 1.0 N A:MET146 4.7 19.0 1.0 N A:PHE147 4.7 19.3 1.0 CA A:MET146 4.8 19.0 1.0 O A:SER170 4.9 17.8 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Inhibitor 11526092 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:18.1 occ:1.00 F26 A:GFI301 0.0 18.1 1.0 C22 A:GFI301 1.3 18.1 1.0 F24 A:GFI301 2.1 18.1 1.0 F25 A:GFI301 2.1 18.1 1.0 C21 A:GFI301 2.4 18.1 1.0 O A:ALA169 2.5 18.7 1.0 N A:PHE147 2.6 19.3 1.0 O A:ALA145 2.9 18.2 1.0 C A:MET146 3.2 19.0 1.0 O23 A:GFI301 3.2 18.1 1.0 CA A:MET146 3.3 19.0 1.0 CB A:PHE147 3.3 19.3 1.0 N20 A:GFI301 3.3 18.1 1.0 C A:ALA169 3.5 18.7 1.0 CA A:PHE147 3.5 19.3 1.0 C A:ALA145 3.5 18.2 1.0 N A:MET146 3.7 19.0 1.0 CA A:SER170 3.9 17.8 1.0 N A:SER170 4.1 17.8 1.0 O A:MET146 4.1 19.0 1.0 N19 A:GFI301 4.3 18.1 1.0 C18 A:GFI301 4.4 18.1 1.0 N A:VAL171 4.5 16.6 1.0 C A:SER170 4.5 17.8 1.0 CB A:ALA169 4.5 18.7 1.0 CA A:ALA169 4.6 18.7 1.0 CB A:MET146 4.7 19.0 1.0 CD1 A:LEU220 4.7 20.3 1.0 CG A:PHE147 4.8 19.3 1.0 CB A:ALA145 4.8 18.2 1.0 CA A:ALA145 4.8 18.2 1.0 C A:PHE147 4.8 19.3 1.0

T.Lane, J.Fu, B.Sherry, B.Tarbet, B.L.Hurst, O.Riabova, E.Kazakova, A.Egorova, P.Clarke, S.Leser, J.Frost, M.Rudy, K.Tyler, T.Klose, R.J.Kuhn, V.Makarov, S.Ekins. Isoxazole-3-Carboxamide Derivatives of Pleconaril Destabilize the Viral Capsid of Enterovirus-D68 To Be Published.