Fluorine in PDB 8w4u: Human KCNQ2-Cam in Complex with PIP2 and HN37

The binding sites of Fluorine atom in the Human KCNQ2-Cam in Complex with PIP2 and HN37 (pdb code 8w4u). 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 PIP2 and HN37, PDB code: 8w4u:
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 PIP2 and HN37


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 PIP2 and HN37 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:70.7 occ:1.00 F25 A:9MF801 0.0 70.7 1.0 C22 A:9MF801 1.4 70.7 1.0 C21 A:9MF801 2.4 70.7 1.0 C23 A:9MF801 2.4 70.7 1.0 H211 A:9MF801 2.6 70.7 1.0 H231 A:9MF801 2.6 70.7 1.0 HE2 A:PHE240 3.3 63.9 1.0 HE2 G:PHE104 3.5 122.0 1.0 HD2 A:PHE240 3.6 63.9 1.0 C20 A:9MF801 3.6 70.7 1.0 C24 A:9MF801 3.6 70.7 1.0 CE2 A:PHE240 4.0 63.9 1.0 C19 A:9MF801 4.1 70.7 1.0 CD2 A:PHE240 4.2 63.9 1.0 HZ G:PHE104 4.3 122.0 1.0 CE2 G:PHE104 4.3 122.0 1.0 H201 A:9MF801 4.4 70.7 1.0 H241 A:9MF801 4.4 70.7 1.0 HD11 B:LEU299 4.5 63.6 1.0 CZ G:PHE104 4.7 122.0 1.0 HD23 A:LEU243 4.9 59.7 1.0

Fluorine binding site 2 out of 4 in the Human KCNQ2-Cam in Complex with PIP2 and HN37


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 PIP2 and HN37 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:70.3 occ:1.00 F25 B:9MF801 0.0 70.3 1.0 C22 B:9MF801 1.4 70.3 1.0 C21 B:9MF801 2.4 70.3 1.0 C23 B:9MF801 2.4 70.3 1.0 H211 B:9MF801 2.6 70.3 1.0 H231 B:9MF801 2.6 70.3 1.0 HE2 B:PHE240 3.3 66.0 1.0 HE2 A:PHE104 3.5 121.5 1.0 HD2 B:PHE240 3.6 66.0 1.0 C20 B:9MF801 3.6 70.3 1.0 C24 B:9MF801 3.6 70.3 1.0 CE2 B:PHE240 4.0 66.0 1.0 C19 B:9MF801 4.1 70.3 1.0 CD2 B:PHE240 4.2 66.0 1.0 HZ A:PHE104 4.3 121.5 1.0 CE2 A:PHE104 4.3 121.5 1.0 H201 B:9MF801 4.4 70.3 1.0 H241 B:9MF801 4.4 70.3 1.0 HD11 D:LEU299 4.5 64.3 1.0 CZ A:PHE104 4.8 121.5 1.0 HD23 B:LEU243 4.8 59.6 1.0

Fluorine binding site 3 out of 4 in the Human KCNQ2-Cam in Complex with PIP2 and HN37


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 PIP2 and HN37 within 5.0Å range: probe atom residue distance (Å) B Occ D:F801 b:71.0 occ:1.00 F25 D:9MF801 0.0 71.0 1.0 C22 D:9MF801 1.4 71.0 1.0 C21 D:9MF801 2.4 71.0 1.0 C23 D:9MF801 2.4 71.0 1.0 H211 D:9MF801 2.6 71.0 1.0 H231 D:9MF801 2.6 71.0 1.0 HE2 D:PHE240 3.3 65.0 1.0 HE2 B:PHE104 3.5 124.0 1.0 HD2 D:PHE240 3.6 65.0 1.0 C20 D:9MF801 3.6 71.0 1.0 C24 D:9MF801 3.6 71.0 1.0 CE2 D:PHE240 4.0 65.0 1.0 C19 D:9MF801 4.1 71.0 1.0 CD2 D:PHE240 4.2 65.0 1.0 HZ B:PHE104 4.3 124.0 1.0 CE2 B:PHE104 4.3 124.0 1.0 H201 D:9MF801 4.4 71.0 1.0 H241 D:9MF801 4.4 71.0 1.0 HD11 G:LEU299 4.4 65.2 1.0 CZ B:PHE104 4.7 124.0 1.0 HD23 D:LEU243 4.8 59.2 1.0

Fluorine binding site 4 out of 4 in the Human KCNQ2-Cam in Complex with PIP2 and HN37


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 PIP2 and HN37 within 5.0Å range: probe atom residue distance (Å) B Occ G:F801 b:70.3 occ:1.00 F25 G:9MF801 0.0 70.3 1.0 C22 G:9MF801 1.4 70.3 1.0 C21 G:9MF801 2.4 70.3 1.0 C23 G:9MF801 2.4 70.3 1.0 H211 G:9MF801 2.6 70.3 1.0 H231 G:9MF801 2.6 70.3 1.0 HE2 G:PHE240 3.3 63.7 1.0 HE2 D:PHE104 3.4 123.2 1.0 HD2 G:PHE240 3.5 63.7 1.0 C20 G:9MF801 3.6 70.3 1.0 C24 G:9MF801 3.6 70.3 1.0 CE2 G:PHE240 4.0 63.7 1.0 C19 G:9MF801 4.1 70.3 1.0 CD2 G:PHE240 4.1 63.7 1.0 HZ D:PHE104 4.3 123.2 1.0 CE2 D:PHE104 4.3 123.2 1.0 H201 G:9MF801 4.4 70.3 1.0 H241 G:9MF801 4.4 70.3 1.0 HD11 A:LEU299 4.4 64.8 1.0 CZ D:PHE104 4.7 123.2 1.0 HD23 G:LEU243 4.8 60.8 1.0

D.Ma, Y.Zheng, X.Li, X.Zhou, Z.Yang, Y.Zhang, L.Wang, W.Zhang, J.Fang, G.Zhao, P.Hou, F.Nan, W.Yang, N.Su, Z.Gao, J.Guo. Ligand Activation Mechanisms of Human KCNQ2 Channel. Nat Commun V. 14 6632 2023.
ISSN: ESSN 2041-1723
PubMed: 37857637
DOI: 10.1038/S41467-023-42416-X