Fluorine in PDB 7bym: Cryo-Em Structure of Human KCNQ4 with Retigabine

The structure of Cryo-Em Structure of Human KCNQ4 with Retigabine also contains other interesting chemical elements:

Potassium

(K)

3 atoms

The binding sites of Fluorine atom in the Cryo-Em Structure of Human KCNQ4 with Retigabine (pdb code 7bym). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Cryo-Em Structure of Human KCNQ4 with Retigabine, PDB code: 7bym:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Cryo-Em Structure of Human KCNQ4 with Retigabine


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 KCNQ4 with Retigabine within 5.0Å range: probe atom residue distance (Å) B Occ A:F702 b:66.8 occ:1.00 F1 A:FBX702 0.0 66.8 1.0 C19 A:FBX702 1.3 66.8 1.0 C17 A:FBX702 2.4 66.8 1.0 C18 A:FBX702 2.4 66.8 1.0 C15 A:FBX702 3.6 66.8 1.0 C16 A:FBX702 3.6 66.8 1.0 CE1 E:PHE110 3.8 96.3 1.0 CZ E:PHE110 3.9 96.3 1.0 CD1 G:PHE246 4.0 62.0 1.0 CE1 G:PHE246 4.1 62.0 1.0 C9 A:FBX702 4.1 66.8 1.0

Fluorine binding site 2 out of 4 in the Cryo-Em Structure of Human KCNQ4 with Retigabine


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 KCNQ4 with Retigabine within 5.0Å range: probe atom residue distance (Å) B Occ C:F701 b:64.9 occ:1.00 F1 C:FBX701 0.0 64.9 1.0 C19 C:FBX701 1.3 64.9 1.0 C17 C:FBX701 2.4 64.9 1.0 C18 C:FBX701 2.4 64.9 1.0 CE1 G:PHE110 3.6 91.9 1.0 C15 C:FBX701 3.6 64.9 1.0 C16 C:FBX701 3.6 64.9 1.0 CZ G:PHE110 3.6 91.9 1.0 CD1 A:PHE246 4.0 61.5 1.0 CE1 A:PHE246 4.1 61.5 1.0 C9 C:FBX701 4.1 64.9 1.0 CD1 G:PHE110 4.8 91.9 1.0 CE2 G:PHE110 4.9 91.9 1.0

Fluorine binding site 3 out of 4 in the Cryo-Em Structure of Human KCNQ4 with Retigabine


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 KCNQ4 with Retigabine within 5.0Å range: probe atom residue distance (Å) B Occ E:F701 b:63.0 occ:1.00 F1 E:FBX701 0.0 63.0 1.0 C19 E:FBX701 1.3 63.0 1.0 C17 E:FBX701 2.4 63.0 1.0 C18 E:FBX701 2.4 63.0 1.0 C15 E:FBX701 3.6 63.0 1.0 C16 E:FBX701 3.6 63.0 1.0 CE1 A:PHE110 3.7 91.9 1.0 CZ A:PHE110 3.7 91.9 1.0 CD1 C:PHE246 4.0 59.2 1.0 C9 E:FBX701 4.1 63.0 1.0 CE1 C:PHE246 4.2 59.2 1.0 CD1 A:PHE110 4.9 91.9 1.0 CE2 A:PHE110 4.9 91.9 1.0 CG C:PHE246 5.0 59.2 1.0

Fluorine binding site 4 out of 4 in the Cryo-Em Structure of Human KCNQ4 with Retigabine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of Human KCNQ4 with Retigabine within 5.0Å range: probe atom residue distance (Å) B Occ G:F701 b:65.8 occ:1.00 F1 G:FBX701 0.0 65.8 1.0 C19 G:FBX701 1.3 65.8 1.0 C18 G:FBX701 2.4 65.8 1.0 C17 G:FBX701 2.4 65.8 1.0 C16 G:FBX701 3.6 65.8 1.0 C15 G:FBX701 3.6 65.8 1.0 CE1 C:PHE110 3.7 95.6 1.0 CZ C:PHE110 3.8 95.6 1.0 CD1 E:PHE246 3.9 61.1 1.0 CE1 E:PHE246 4.1 61.1 1.0 C9 G:FBX701 4.1 65.8 1.0 CD1 C:PHE110 4.9 95.6 1.0 CG E:PHE246 5.0 61.1 1.0

T.Li, K.Wu, Z.Yue, Y.Wang, F.Zhang, H.Shen. Structural Basis For the Modulation of Human KCNQ4 By Small-Molecule Drugs. Mol.Cell 2020.
ISSN: ISSN 1097-2765
PubMed: 33238160
DOI: 10.1016/J.MOLCEL.2020.10.037