Fluorine in PDB 7cr1: Human KCNQ2 in Complex with ZTZ240

The structure of Human KCNQ2 in Complex with ZTZ240 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Fluorine atom in the Human KCNQ2 in Complex with ZTZ240 (pdb code 7cr1). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Human KCNQ2 in Complex with ZTZ240, PDB code: 7cr1:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human KCNQ2 in Complex with ZTZ240


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human KCNQ2 in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:84.0 occ:1.00 F1 A:GB9801 0.0 84.0 1.0 C10 A:GB9801 1.4 84.0 1.0 C8 A:GB9801 2.3 84.0 1.0 H6 A:GB9801 2.5 84.0 1.0 C7 A:GB9801 2.5 84.0 1.0 H5 A:GB9801 2.7 84.0 1.0 CD1 A:ILE134 3.1 80.6 1.0 OG A:SER179 3.5 90.2 1.0 C4 A:GB9801 3.7 84.0 1.0 C5 A:GB9801 3.7 84.0 1.0 CD2 A:PHE137 3.8 82.1 1.0 CB A:SER179 3.9 90.2 1.0 CD1 A:LEU176 4.0 87.1 1.0 CB A:PHE137 4.1 82.1 1.0 C1 A:GB9801 4.2 84.0 1.0 CA A:LEU176 4.3 87.1 1.0 CG A:PHE137 4.4 82.1 1.0 H2 A:GB9801 4.4 84.0 1.0 H3 A:GB9801 4.5 84.0 1.0 CG1 A:ILE134 4.5 80.6 1.0 NH1 A:ARG207 4.5 76.9 1.0 CA A:ILE134 4.6 80.6 1.0 O A:VAL175 4.6 87.4 1.0 CZ A:ARG207 4.7 76.9 1.0 CE2 A:PHE137 4.8 82.1 1.0 CB A:LEU176 4.8 87.1 1.0 NE A:ARG207 4.8 76.9 1.0 O A:THR133 4.9 79.7 1.0 CD A:ARG207 4.9 76.9 1.0 N A:LEU176 4.9 87.1 1.0 CG2 A:THR133 4.9 79.7 1.0 O A:LEU176 5.0 87.1 1.0

Fluorine binding site 2 out of 4 in the Human KCNQ2 in Complex with ZTZ240


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human KCNQ2 in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:84.2 occ:1.00 F1 B:GB9801 0.0 84.2 1.0 C10 B:GB9801 1.4 84.2 1.0 C8 B:GB9801 2.3 84.2 1.0 H6 B:GB9801 2.5 84.2 1.0 C7 B:GB9801 2.5 84.2 1.0 H5 B:GB9801 2.7 84.2 1.0 CD1 B:ILE134 3.1 80.6 1.0 OG B:SER179 3.5 90.0 1.0 C4 B:GB9801 3.7 84.2 1.0 C5 B:GB9801 3.7 84.2 1.0 CD2 B:PHE137 3.8 82.9 1.0 CB B:SER179 3.9 90.0 1.0 CD1 B:LEU176 4.0 87.2 1.0 CB B:PHE137 4.1 82.9 1.0 C1 B:GB9801 4.2 84.2 1.0 CA B:LEU176 4.3 87.2 1.0 CG B:PHE137 4.4 82.9 1.0 H2 B:GB9801 4.4 84.2 1.0 H3 B:GB9801 4.5 84.2 1.0 CG1 B:ILE134 4.5 80.6 1.0 NH1 B:ARG207 4.5 77.0 1.0 CA B:ILE134 4.6 80.6 1.0 O B:VAL175 4.6 87.6 1.0 CZ B:ARG207 4.7 77.0 1.0 CE2 B:PHE137 4.8 82.9 1.0 CB B:LEU176 4.8 87.2 1.0 NE B:ARG207 4.8 77.0 1.0 O B:THR133 4.9 79.8 1.0 CD B:ARG207 4.9 77.0 1.0 N B:LEU176 4.9 87.2 1.0 CG2 B:THR133 4.9 79.8 1.0 O B:LEU176 5.0 87.2 1.0

Fluorine binding site 3 out of 4 in the Human KCNQ2 in Complex with ZTZ240


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human KCNQ2 in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:84.3 occ:1.00 F1 C:GB9801 0.0 84.3 1.0 C10 C:GB9801 1.4 84.3 1.0 C8 C:GB9801 2.3 84.3 1.0 H6 C:GB9801 2.5 84.3 1.0 C7 C:GB9801 2.5 84.3 1.0 H5 C:GB9801 2.7 84.3 1.0 CD1 C:ILE134 3.1 80.4 1.0 OG C:SER179 3.5 90.5 1.0 C4 C:GB9801 3.7 84.3 1.0 C5 C:GB9801 3.7 84.3 1.0 CD2 C:PHE137 3.8 82.5 1.0 CB C:SER179 3.9 90.5 1.0 CD1 C:LEU176 4.0 86.8 1.0 CB C:PHE137 4.1 82.5 1.0 C1 C:GB9801 4.2 84.3 1.0 CA C:LEU176 4.3 86.8 1.0 CG C:PHE137 4.4 82.5 1.0 H2 C:GB9801 4.4 84.3 1.0 H3 C:GB9801 4.5 84.3 1.0 CG1 C:ILE134 4.5 80.4 1.0 NH1 C:ARG207 4.5 77.6 1.0 CA C:ILE134 4.6 80.4 1.0 O C:VAL175 4.6 87.6 1.0 CZ C:ARG207 4.7 77.6 1.0 CE2 C:PHE137 4.8 82.5 1.0 CB C:LEU176 4.8 86.8 1.0 NE C:ARG207 4.8 77.6 1.0 O C:THR133 4.9 79.9 1.0 CD C:ARG207 4.9 77.6 1.0 N C:LEU176 4.9 86.8 1.0 CG2 C:THR133 4.9 79.9 1.0 O C:LEU176 5.0 86.8 1.0

Fluorine binding site 4 out of 4 in the Human KCNQ2 in Complex with ZTZ240


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human KCNQ2 in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ D:F801 b:83.8 occ:1.00 F1 D:GB9801 0.0 83.8 1.0 C10 D:GB9801 1.4 83.8 1.0 C8 D:GB9801 2.3 83.8 1.0 H6 D:GB9801 2.5 83.8 1.0 C7 D:GB9801 2.5 83.8 1.0 H5 D:GB9801 2.7 83.8 1.0 CD1 D:ILE134 3.1 80.1 1.0 OG D:SER179 3.5 90.6 1.0 C4 D:GB9801 3.7 83.8 1.0 C5 D:GB9801 3.7 83.8 1.0 CD2 D:PHE137 3.8 82.0 1.0 CB D:SER179 3.9 90.6 1.0 CD1 D:LEU176 4.0 86.8 1.0 CB D:PHE137 4.1 82.0 1.0 C1 D:GB9801 4.2 83.8 1.0 CA D:LEU176 4.3 86.8 1.0 CG D:PHE137 4.4 82.0 1.0 H2 D:GB9801 4.4 83.8 1.0 H3 D:GB9801 4.5 83.8 1.0 CG1 D:ILE134 4.5 80.1 1.0 NH1 D:ARG207 4.5 76.6 1.0 CA D:ILE134 4.6 80.1 1.0 O D:VAL175 4.6 87.5 1.0 CZ D:ARG207 4.7 76.6 1.0 CE2 D:PHE137 4.8 82.0 1.0 CB D:LEU176 4.8 86.8 1.0 NE D:ARG207 4.8 76.6 1.0 O D:THR133 4.9 79.7 1.0 CD D:ARG207 4.9 76.6 1.0 N D:LEU176 4.9 86.8 1.0 CG2 D:THR133 4.9 79.7 1.0 O D:LEU176 5.0 86.8 1.0

X.Li, Q.Zhang, P.Guo, J.Fu, L.Mei, D.Lv, J.Wang, D.Lai, S.Ye, H.Yang, J.Guo. Molecular Basis For Ligand Activation of the Human KCNQ2 Channel. Cell Res. 2020.
ISSN: ISSN 1001-0602
PubMed: 32884139
DOI: 10.1038/S41422-020-00410-8