Fluorine in PDB 8x43: Human KCNQ2-Cam-EBIO1-S1 Complex in the Presence of PIP2

The binding sites of Fluorine atom in the Human KCNQ2-Cam-EBIO1-S1 Complex in the Presence of PIP2 (pdb code 8x43). 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-EBIO1-S1 Complex in the Presence of PIP2, PDB code: 8x43:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Human KCNQ2-Cam-EBIO1-S1 Complex in the Presence of PIP2


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-EBIO1-S1 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:91.1 occ:1.00 F1 A:7Q0801 0.0 91.1 1.0 C17 A:7Q0801 1.4 81.4 1.0 C16 A:7Q0801 2.4 81.6 1.0 C18 A:7Q0801 2.4 76.3 1.0 HZ A:PHE304 2.5 72.6 1.0 H11 A:7Q0801 2.5 73.7 1.0 H12 A:7Q0801 2.6 73.0 1.0 HD21 G:LEU221 2.7 73.5 1.0 CZ A:PHE304 2.9 79.1 1.0 HD11 G:LEU221 2.9 74.4 1.0 HE2 A:PHE304 3.2 70.9 1.0 CE2 A:PHE304 3.2 68.8 1.0 CD2 G:LEU221 3.6 78.4 1.0 C15 A:7Q0801 3.6 80.7 1.0 C19 A:7Q0801 3.6 75.2 1.0 CE1 A:PHE304 3.7 80.1 1.0 CD1 G:LEU221 3.8 73.6 1.0 HD22 G:LEU221 3.8 74.8 1.0 HG21 G:VAL225 4.0 67.1 1.0 HE1 A:PHE304 4.0 71.5 1.0 HG23 A:ILE300 4.0 70.9 1.0 C14 A:7Q0801 4.1 72.4 1.0 CG G:LEU221 4.1 70.8 1.0 HD13 G:LEU221 4.2 73.7 1.0 HG G:LEU221 4.2 73.1 1.0 HD23 G:LEU221 4.3 75.2 1.0 CD2 A:PHE304 4.3 71.3 1.0 H10 A:7Q0801 4.4 74.3 1.0 H13 A:7Q0801 4.4 73.0 1.0 HD12 G:LEU221 4.5 73.3 1.0 HD11 G:LEU312 4.6 67.9 1.0 CD1 A:PHE304 4.7 75.6 1.0 CG2 G:VAL225 4.7 68.0 1.0 HD13 G:LEU312 4.7 67.8 1.0 HG22 G:VAL225 4.8 66.7 1.0 HG23 G:VAL225 4.8 68.8 1.0 HD2 A:PHE304 4.8 71.8 1.0 CG2 A:ILE300 4.8 76.2 1.0 CG A:PHE304 4.9 66.7 1.0 HG21 A:ILE300 4.9 72.0 1.0 HD12 G:LEU312 5.0 68.0 1.0 CD1 G:LEU312 5.0 70.6 1.0 HG21 A:ILE238 5.0 67.2 1.0

Fluorine binding site 2 out of 4 in the Human KCNQ2-Cam-EBIO1-S1 Complex in the Presence of PIP2


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-EBIO1-S1 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:92.0 occ:1.00 F1 C:7Q0801 0.0 92.0 1.0 C17 C:7Q0801 1.4 81.6 1.0 C16 C:7Q0801 2.4 81.7 1.0 C18 C:7Q0801 2.4 76.2 1.0 HZ C:PHE304 2.5 72.8 1.0 H11 C:7Q0801 2.5 74.0 1.0 H12 C:7Q0801 2.6 73.2 1.0 HD21 A:LEU221 2.7 74.2 1.0 CZ C:PHE304 2.9 79.1 1.0 HD11 A:LEU221 2.9 74.8 1.0 HE2 C:PHE304 3.2 70.8 1.0 CE2 C:PHE304 3.2 67.7 1.0 CD2 A:LEU221 3.6 78.5 1.0 C15 C:7Q0801 3.6 81.1 1.0 C19 C:7Q0801 3.6 75.1 1.0 CE1 C:PHE304 3.7 80.2 1.0 CD1 A:LEU221 3.8 74.0 1.0 HD22 A:LEU221 3.8 75.5 1.0 HG21 A:VAL225 4.0 67.8 1.0 HE1 C:PHE304 4.0 71.6 1.0 HG23 C:ILE300 4.0 72.0 1.0 C14 C:7Q0801 4.1 72.6 1.0 CG A:LEU221 4.1 70.1 1.0 HG A:LEU221 4.2 73.4 1.0 HD13 A:LEU221 4.2 74.4 1.0 HD23 A:LEU221 4.3 75.7 1.0 CD2 C:PHE304 4.3 70.3 1.0 H10 C:7Q0801 4.4 74.8 1.0 H13 C:7Q0801 4.4 73.2 1.0 HD12 A:LEU221 4.5 73.8 1.0 HD11 A:LEU312 4.6 68.3 1.0 CD1 C:PHE304 4.7 76.2 1.0 CG2 A:VAL225 4.7 67.7 1.0 HD13 A:LEU312 4.7 68.2 1.0 HG22 A:VAL225 4.8 67.5 1.0 HG23 A:VAL225 4.8 69.4 1.0 HD2 C:PHE304 4.8 71.6 1.0 CG2 C:ILE300 4.8 78.0 1.0 CG C:PHE304 4.9 67.0 1.0 HG21 C:ILE300 4.9 73.0 1.0 HD12 A:LEU312 5.0 68.4 1.0 CD1 A:LEU312 5.0 71.3 1.0 HG21 C:ILE238 5.0 68.0 1.0

Fluorine binding site 3 out of 4 in the Human KCNQ2-Cam-EBIO1-S1 Complex in the Presence of PIP2


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-EBIO1-S1 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ E:F801 b:91.2 occ:1.00 F1 E:7Q0801 0.0 91.2 1.0 C17 E:7Q0801 1.4 81.0 1.0 C16 E:7Q0801 2.4 80.8 1.0 C18 E:7Q0801 2.4 75.8 1.0 HZ E:PHE304 2.5 72.8 1.0 H11 E:7Q0801 2.5 73.1 1.0 H12 E:7Q0801 2.6 72.3 1.0 HD21 C:LEU221 2.7 74.2 1.0 CZ E:PHE304 2.9 79.8 1.0 HD11 C:LEU221 2.9 75.0 1.0 HE2 E:PHE304 3.2 70.9 1.0 CE2 E:PHE304 3.2 69.0 1.0 CD2 C:LEU221 3.6 77.9 1.0 C15 E:7Q0801 3.6 80.5 1.0 C19 E:7Q0801 3.6 74.5 1.0 CE1 E:PHE304 3.7 81.1 1.0 CD1 C:LEU221 3.8 74.0 1.0 HD22 C:LEU221 3.8 75.6 1.0 HG21 C:VAL225 4.0 68.0 1.0 HE1 E:PHE304 4.0 71.8 1.0 HG23 E:ILE300 4.0 70.2 1.0 C14 E:7Q0801 4.1 72.2 1.0 CG C:LEU221 4.1 69.5 1.0 HG C:LEU221 4.2 73.4 1.0 HD13 C:LEU221 4.2 74.5 1.0 HD23 C:LEU221 4.3 75.9 1.0 CD2 E:PHE304 4.3 70.4 1.0 H10 E:7Q0801 4.4 73.9 1.0 H13 E:7Q0801 4.4 72.4 1.0 HD12 C:LEU221 4.5 74.0 1.0 HD11 C:LEU312 4.6 68.7 1.0 CD1 E:PHE304 4.7 76.2 1.0 CG2 C:VAL225 4.7 68.0 1.0 HD13 C:LEU312 4.7 68.4 1.0 HG22 C:VAL225 4.8 67.7 1.0 HG23 C:VAL225 4.8 69.8 1.0 HD2 E:PHE304 4.8 71.6 1.0 CG2 E:ILE300 4.8 76.4 1.0 CG E:PHE304 4.9 65.8 1.0 HG21 E:ILE300 4.9 71.3 1.0 HD12 C:LEU312 5.0 68.6 1.0 CD1 C:LEU312 5.0 71.9 1.0 HG21 E:ILE238 5.0 67.4 1.0

Fluorine binding site 4 out of 4 in the Human KCNQ2-Cam-EBIO1-S1 Complex in the Presence of PIP2


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-EBIO1-S1 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ G:F801 b:92.3 occ:1.00 F1 G:7Q0801 0.0 92.3 1.0 C17 G:7Q0801 1.4 81.9 1.0 C16 G:7Q0801 2.4 82.1 1.0 C18 G:7Q0801 2.4 77.0 1.0 HZ G:PHE304 2.5 73.0 1.0 H11 G:7Q0801 2.5 74.1 1.0 H12 G:7Q0801 2.6 73.3 1.0 HD21 E:LEU221 2.7 73.3 1.0 CZ G:PHE304 2.9 79.6 1.0 HD11 E:LEU221 2.9 74.3 1.0 HE2 G:PHE304 3.2 71.1 1.0 CE2 G:PHE304 3.2 68.6 1.0 CD2 E:LEU221 3.6 77.2 1.0 C15 G:7Q0801 3.6 80.7 1.0 C19 G:7Q0801 3.6 75.8 1.0 CE1 G:PHE304 3.7 81.0 1.0 CD1 E:LEU221 3.8 73.7 1.0 HD22 E:LEU221 3.8 74.8 1.0 HG21 E:VAL225 4.0 67.8 1.0 HE1 G:PHE304 4.0 72.2 1.0 HG23 G:ILE300 4.0 71.4 1.0 C14 G:7Q0801 4.1 72.8 1.0 CG E:LEU221 4.1 68.8 1.0 HG E:LEU221 4.2 72.7 1.0 HD13 E:LEU221 4.2 73.8 1.0 HD23 E:LEU221 4.3 75.1 1.0 CD2 G:PHE304 4.3 71.4 1.0 H10 G:7Q0801 4.4 74.7 1.0 H13 G:7Q0801 4.4 73.3 1.0 HD12 E:LEU221 4.5 73.1 1.0 HD11 E:LEU312 4.6 68.0 1.0 CD1 G:PHE304 4.7 75.3 1.0 CG2 E:VAL225 4.7 69.0 1.0 HD13 E:LEU312 4.7 67.8 1.0 HG22 E:VAL225 4.8 67.5 1.0 HD2 G:PHE304 4.8 72.1 1.0 HG23 E:VAL225 4.8 69.5 1.0 CG2 G:ILE300 4.8 77.3 1.0 CG G:PHE304 4.9 67.2 1.0 HG21 G:ILE300 4.9 72.6 1.0 HD12 E:LEU312 5.0 68.2 1.0 CD1 E:LEU312 5.0 70.6 1.0 HG21 G:ILE238 5.0 67.6 1.0

S.Zhang, D.Ma, K.Wang, Y.Li, Z.Yang, X.Li, J.Li, J.He, L.Mei, Y.Ye, Z.Chen, J.Shen, P.Hou, J.Guo, Q.Zhang, H.Yang. A Small-Molecule Activation Mechanism That Directly Opens the KCNQ2 Channel. Nat.Chem.Biol. 2024.
ISSN: ESSN 1552-4469
PubMed: 38167918
DOI: 10.1038/S41589-023-01515-Y