Fluorine in PDB 8zyo: Cryo-Em Structure of Astemizole-Bound Herg Channel

The binding sites of Fluorine atom in the Cryo-Em Structure of Astemizole-Bound Herg Channel (pdb code 8zyo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Cryo-Em Structure of Astemizole-Bound Herg Channel, PDB code: 8zyo:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Cryo-Em Structure of Astemizole-Bound Herg Channel


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 Astemizole-Bound Herg Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:F1101 b:49.0 occ:0.30 F1 D:XB71101 0.0 49.0 0.3 C16 D:XB71101 1.1 48.6 0.7 C15 D:XB71101 1.3 46.9 0.7 C24 D:XB71101 1.3 48.8 0.3 C23 D:XB71101 2.3 50.3 0.3 C25 D:XB71101 2.3 47.7 0.3 C17 D:XB71101 2.5 50.0 0.7 C14 D:XB71101 2.6 46.8 0.7 O A:LEU622 3.1 38.5 1.0 C18 D:XB71101 3.4 49.5 0.7 C19 D:XB71101 3.4 49.0 0.7 O A:GLY648 3.5 54.5 1.0 C22 D:XB71101 3.6 50.6 0.3 C26 D:XB71101 3.6 49.1 0.3 N3 D:XB71101 3.6 47.5 0.7 C A:LEU622 3.7 32.8 1.0 CA A:THR623 4.0 37.7 1.0 CB A:TYR652 4.0 54.5 1.0 C21 D:XB71101 4.1 49.4 0.3 N A:THR623 4.1 35.6 1.0 C A:GLY648 4.2 46.4 1.0 N A:TYR652 4.3 52.3 1.0 CA A:GLY648 4.3 43.7 1.0 CZ A:PHE557 4.4 54.2 1.0 CA A:TYR652 4.5 53.1 1.0 N4 D:XB71101 4.6 49.2 0.7 CB A:LEU622 4.7 32.1 1.0 C13 D:XB71101 4.7 49.3 0.7 OG1 A:THR623 4.7 46.7 1.0 CA A:LEU622 4.7 29.0 1.0 CE1 A:PHE557 4.8 60.8 1.0 C A:THR623 4.8 37.9 1.0 CB A:MET651 4.9 60.9 1.0 CG A:MET651 4.9 62.0 1.0 CB A:THR623 5.0 37.3 1.0

Fluorine binding site 2 out of 2 in the Cryo-Em Structure of Astemizole-Bound Herg Channel


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 Astemizole-Bound Herg Channel within 5.0Å range: probe atom residue distance (Å) B Occ D:F1101 b:45.7 occ:0.70 F1 D:XB71101 0.0 45.7 0.7 C16 D:XB71101 0.6 46.9 0.3 C24 D:XB71101 1.3 48.6 0.7 C17 D:XB71101 1.7 50.4 0.3 C15 D:XB71101 1.8 47.1 0.3 C23 D:XB71101 2.3 51.1 0.7 C25 D:XB71101 2.3 49.3 0.7 C18 D:XB71101 2.9 51.6 0.3 C14 D:XB71101 2.9 49.7 0.3 O D:SER621 2.9 39.0 1.0 O D:LEU622 3.2 41.9 1.0 C19 D:XB71101 3.3 51.5 0.3 C D:LEU622 3.5 36.7 1.0 C22 D:XB71101 3.5 52.3 0.7 C26 D:XB71101 3.6 50.5 0.7 CA D:LEU622 3.6 31.5 1.0 C D:SER621 4.0 28.3 1.0 C21 D:XB71101 4.0 51.7 0.7 CG2 A:THR623 4.1 44.2 1.0 N D:SER624 4.1 33.8 1.0 N3 D:XB71101 4.1 49.0 0.3 CA D:GLY648 4.2 55.6 1.0 N D:LEU622 4.3 32.1 1.0 N D:THR623 4.3 35.7 1.0 C D:GLY648 4.3 60.5 1.0 CG2 A:VAL625 4.5 21.9 1.0 CA D:SER624 4.6 28.6 1.0 N4 D:XB71101 4.6 50.9 0.3 N D:SER649 4.7 59.1 1.0 O D:GLY648 4.7 65.4 1.0 O D:MET645 4.8 58.1 1.0 CB D:LEU622 4.8 29.9 1.0 CB D:SER624 4.9 34.9 1.0 C D:THR623 4.9 36.4 1.0 C13 D:XB71101 5.0 49.7 0.3

Y.Miyashita, T.Moriya, T.Kato, M.Kawasaki, Y.Yasuda, N.Adachi, K.Suzuki, S.Ogasawara, T.Saito, T.Senda, T.Murata. Improved Higher Resolution Cryo-Em Structures Reveal the Binding Modes of Herg Channel Inhibitors To Be Published.