Fluorine in PDB 7cr4: Human KCNQ2-Cam in Complex with ZTZ240

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

Chlorine

(Cl)

4 atoms

The binding sites of Fluorine atom in the Human KCNQ2-Cam in Complex with ZTZ240 (pdb code 7cr4). 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-Cam in Complex with ZTZ240, PDB code: 7cr4:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human KCNQ2-Cam 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-Cam in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:0.6 occ:1.00 F1 A:GB91001 0.0 0.6 1.0 C10 A:GB91001 1.4 0.6 1.0 OG A:SER179 2.0 0.7 1.0 C8 A:GB91001 2.3 0.6 1.0 C7 A:GB91001 2.5 0.6 1.0 H6 A:GB91001 2.5 0.6 1.0 H5 A:GB91001 2.7 0.6 1.0 CB A:SER179 3.0 0.7 1.0 O A:LEU176 3.0 0.2 1.0 CD1 A:LEU176 3.0 0.2 1.0 CA A:LEU176 3.1 0.2 1.0 CG2 A:ILE134 3.3 0.7 1.0 C A:LEU176 3.5 0.2 1.0 C4 A:GB91001 3.7 0.6 1.0 C5 A:GB91001 3.7 0.6 1.0 CB A:LEU176 3.8 0.2 1.0 CG1 A:ILE134 3.9 0.7 1.0 CG A:LEU176 4.0 0.2 1.0 CB A:ILE134 4.0 0.7 1.0 O A:VAL175 4.0 0.8 1.0 N A:LEU176 4.2 0.2 1.0 C1 A:GB91001 4.2 0.6 1.0 CA A:SER179 4.3 0.7 1.0 CD1 A:ILE134 4.4 0.7 1.0 H2 A:GB91001 4.4 0.6 1.0 H3 A:GB91001 4.5 0.6 1.0 CA A:ILE134 4.5 0.7 1.0 C A:VAL175 4.5 0.8 1.0 CB A:PHE137 4.5 0.8 1.0 N A:SER179 4.7 0.7 1.0 CG A:PHE137 4.7 0.8 1.0 CD2 A:PHE137 4.8 0.8 1.0 N A:ILE180 4.8 0.9 1.0 N A:ILE177 4.8 0.8 1.0 C A:SER179 4.8 0.7 1.0 O A:ILE134 4.9 0.7 1.0 CD1 A:ILE180 5.0 0.9 1.0

Fluorine binding site 2 out of 4 in the Human KCNQ2-Cam 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-Cam in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1001 b:0.7 occ:1.00 F1 B:GB91001 0.0 0.7 1.0 C10 B:GB91001 1.4 0.7 1.0 OG B:SER179 2.0 0.1 1.0 C8 B:GB91001 2.3 0.7 1.0 H6 B:GB91001 2.5 0.7 1.0 C7 B:GB91001 2.5 0.7 1.0 H5 B:GB91001 2.7 0.7 1.0 CB B:SER179 3.0 0.1 1.0 O B:LEU176 3.0 1.0 1.0 CD1 B:LEU176 3.0 1.0 1.0 CA B:LEU176 3.1 1.0 1.0 CG2 B:ILE134 3.3 0.6 1.0 C B:LEU176 3.5 1.0 1.0 C4 B:GB91001 3.7 0.7 1.0 C5 B:GB91001 3.7 0.7 1.0 CB B:LEU176 3.8 1.0 1.0 CG1 B:ILE134 3.9 0.6 1.0 CG B:LEU176 4.0 1.0 1.0 CB B:ILE134 4.0 0.6 1.0 O B:VAL175 4.0 0.0 1.0 N B:LEU176 4.2 1.0 1.0 C1 B:GB91001 4.2 0.7 1.0 CA B:SER179 4.3 0.1 1.0 CD1 B:ILE134 4.4 0.6 1.0 H2 B:GB91001 4.4 0.7 1.0 H3 B:GB91001 4.5 0.7 1.0 CA B:ILE134 4.5 0.6 1.0 C B:VAL175 4.5 0.0 1.0 CB B:PHE137 4.5 0.1 1.0 N B:SER179 4.7 0.1 1.0 CG B:PHE137 4.7 0.1 1.0 CD2 B:PHE137 4.8 0.1 1.0 N B:ILE180 4.8 0.7 1.0 N B:ILE177 4.8 0.3 1.0 C B:SER179 4.8 0.1 1.0 O B:ILE134 4.9 0.6 1.0 CD1 B:ILE180 5.0 0.7 1.0

Fluorine binding site 3 out of 4 in the Human KCNQ2-Cam 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-Cam in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ D:F1001 b:0.5 occ:1.00 F1 D:GB91001 0.0 0.5 1.0 C10 D:GB91001 1.4 0.5 1.0 OG D:SER179 2.0 0.7 1.0 C8 D:GB91001 2.3 0.5 1.0 H6 D:GB91001 2.5 0.5 1.0 C7 D:GB91001 2.5 0.5 1.0 H5 D:GB91001 2.7 0.5 1.0 CB D:SER179 3.0 0.7 1.0 O D:LEU176 3.0 0.1 1.0 CD1 D:LEU176 3.0 0.1 1.0 CA D:LEU176 3.1 0.1 1.0 CG2 D:ILE134 3.3 0.2 1.0 C D:LEU176 3.5 0.1 1.0 C4 D:GB91001 3.7 0.5 1.0 C5 D:GB91001 3.7 0.5 1.0 CB D:LEU176 3.8 0.1 1.0 CG1 D:ILE134 3.9 0.2 1.0 CG D:LEU176 4.0 0.1 1.0 CB D:ILE134 4.0 0.2 1.0 O D:VAL175 4.0 0.6 1.0 N D:LEU176 4.2 0.1 1.0 C1 D:GB91001 4.2 0.5 1.0 CA D:SER179 4.3 0.7 1.0 CD1 D:ILE134 4.4 0.2 1.0 H2 D:GB91001 4.4 0.5 1.0 H3 D:GB91001 4.5 0.5 1.0 CA D:ILE134 4.5 0.2 1.0 C D:VAL175 4.5 0.6 1.0 CB D:PHE137 4.5 0.8 1.0 N D:SER179 4.7 0.7 1.0 CG D:PHE137 4.7 0.8 1.0 CD2 D:PHE137 4.8 0.8 1.0 N D:ILE180 4.8 0.6 1.0 N D:ILE177 4.8 0.5 1.0 C D:SER179 4.8 0.7 1.0 O D:ILE134 4.9 0.2 1.0 CD1 D:ILE180 5.0 0.6 1.0

Fluorine binding site 4 out of 4 in the Human KCNQ2-Cam 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-Cam in Complex with ZTZ240 within 5.0Å range: probe atom residue distance (Å) B Occ F:F1001 b:0.4 occ:1.00 F1 F:GB91001 0.0 0.4 1.0 C10 F:GB91001 1.4 0.4 1.0 OG F:SER179 2.0 0.8 1.0 C8 F:GB91001 2.3 0.4 1.0 H6 F:GB91001 2.5 0.4 1.0 C7 F:GB91001 2.5 0.4 1.0 H5 F:GB91001 2.7 0.4 1.0 CB F:SER179 3.0 0.8 1.0 O F:LEU176 3.0 1.0 1.0 CD1 F:LEU176 3.0 1.0 1.0 CA F:LEU176 3.1 1.0 1.0 CG2 F:ILE134 3.3 0.3 1.0 C F:LEU176 3.5 1.0 1.0 C4 F:GB91001 3.7 0.4 1.0 C5 F:GB91001 3.7 0.4 1.0 CB F:LEU176 3.8 1.0 1.0 CG1 F:ILE134 3.9 0.3 1.0 CG F:LEU176 4.0 1.0 1.0 CB F:ILE134 4.0 0.3 1.0 O F:VAL175 4.0 0.4 1.0 N F:LEU176 4.2 1.0 1.0 C1 F:GB91001 4.2 0.4 1.0 CA F:SER179 4.3 0.8 1.0 CD1 F:ILE134 4.4 0.3 1.0 H2 F:GB91001 4.4 0.4 1.0 H3 F:GB91001 4.5 0.4 1.0 CA F:ILE134 4.5 0.3 1.0 C F:VAL175 4.5 0.4 1.0 CB F:PHE137 4.5 0.9 1.0 N F:SER179 4.7 0.8 1.0 CG F:PHE137 4.7 0.9 1.0 CD2 F:PHE137 4.8 0.9 1.0 N F:ILE180 4.8 0.2 1.0 N F:ILE177 4.8 0.7 1.0 C F:SER179 4.8 0.8 1.0 O F:ILE134 4.9 0.3 1.0 CD1 F:ILE180 5.0 0.2 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