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

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Enterovirus D68 Us/Mo/14-18947 Strain Virion in Complex with Pleconaril (pdb code 7tag). 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 Pleconaril, PDB code: 7tag:
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 Pleconaril


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 Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:10.4 occ:1.00 F1 A:W11301 0.0 10.4 1.0 CM4 A:W11301 1.3 10.4 1.0 F3 A:W11301 2.1 10.4 1.0 F2 A:W11301 2.1 10.4 1.0 C3A A:W11301 2.4 10.4 1.0 O1A A:W11301 2.7 10.4 1.0 CG1 A:VAL171 3.0 11.2 1.0 O A:ALA145 3.0 11.7 1.0 CB A:VAL171 3.1 11.2 1.0 N A:VAL171 3.3 11.2 1.0 N3A A:W11301 3.6 10.4 1.0 C A:SER170 3.7 11.3 1.0 CA A:VAL171 3.8 11.2 1.0 C A:ALA145 4.0 11.7 1.0 N1A A:W11301 4.0 10.4 1.0 CD1 A:ILE182 4.1 9.3 1.0 CA A:SER170 4.1 11.3 1.0 O A:ALA169 4.1 11.4 1.0 CB A:ALA145 4.2 11.7 1.0 O A:SER170 4.3 11.3 1.0 CG2 A:VAL171 4.5 11.2 1.0 C2A A:W11301 4.5 10.4 1.0 C A:ALA169 4.6 11.4 1.0 CG2 A:ILE182 4.6 9.3 1.0 N A:SER170 4.6 11.3 1.0 CA A:ALA145 4.7 11.7 1.0 N A:MET146 4.9 12.2 1.0 CG1 A:ILE182 4.9 9.3 1.0 C A:VAL171 4.9 11.2 1.0 O A:VAL171 4.9 11.2 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 Pleconaril


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 Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:10.4 occ:1.00 F2 A:W11301 0.0 10.4 1.0 CM4 A:W11301 1.4 10.4 1.0 F3 A:W11301 2.1 10.4 1.0 F1 A:W11301 2.1 10.4 1.0 O A:ALA169 2.2 11.4 1.0 C3A A:W11301 2.4 10.4 1.0 O A:ALA145 3.0 11.7 1.0 C A:ALA169 3.0 11.4 1.0 N A:PHE147 3.2 12.0 1.0 O1A A:W11301 3.3 10.4 1.0 N3A A:W11301 3.3 10.4 1.0 CA A:SER170 3.5 11.3 1.0 N A:SER170 3.6 11.3 1.0 CA A:MET146 3.7 12.2 1.0 C A:MET146 3.8 12.2 1.0 C A:ALA145 3.8 11.7 1.0 CB A:PHE147 3.8 12.0 1.0 C A:SER170 3.9 11.3 1.0 N A:VAL171 4.0 11.2 1.0 CB A:ALA169 4.0 11.4 1.0 N A:MET146 4.1 12.2 1.0 CA A:ALA169 4.1 11.4 1.0 CA A:PHE147 4.1 12.0 1.0 N1A A:W11301 4.3 10.4 1.0 C2A A:W11301 4.4 10.4 1.0 O A:SER170 4.6 11.3 1.0 O A:MET146 4.8 12.2 1.0 CB A:SER170 4.8 11.3 1.0 CG1 A:VAL171 4.9 11.2 1.0 CD1 A:ILE182 4.9 9.3 1.0 CB A:VAL171 4.9 11.2 1.0 N A:ALA169 5.0 11.4 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 Pleconaril


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 Pleconaril within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:10.4 occ:1.00 F3 A:W11301 0.0 10.4 1.0 CM4 A:W11301 1.3 10.4 1.0 F1 A:W11301 2.1 10.4 1.0 F2 A:W11301 2.1 10.4 1.0 C3A A:W11301 2.4 10.4 1.0 N3A A:W11301 3.0 10.4 1.0 CD1 A:ILE182 3.2 9.3 1.0 O1A A:W11301 3.6 10.4 1.0 O A:ALA169 3.7 11.4 1.0 CB A:ALA169 3.8 11.4 1.0 CB C:ALA24 3.8 8.7 1.0 C A:ALA169 4.0 11.4 1.0 C2A A:W11301 4.3 10.4 1.0 CG2 A:ILE182 4.4 9.3 1.0 CG1 A:ILE182 4.4 9.3 1.0 N A:SER170 4.4 11.3 1.0 C A:SER170 4.4 11.3 1.0 N1A A:W11301 4.6 10.4 1.0 CA A:ALA169 4.6 11.4 1.0 O A:ALA145 4.6 11.7 1.0 CA A:SER170 4.6 11.3 1.0 N A:VAL171 4.6 11.2 1.0 O A:SER170 4.7 11.3 1.0 CB A:VAL171 4.7 11.2 1.0 CB A:ILE182 4.7 9.3 1.0 CB A:PHE147 4.8 12.0 1.0 CG1 A:VAL171 4.9 11.2 1.0 CA C:ALA24 5.0 8.7 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.