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

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

Fluorine binding site 1 out of 4 in the Human KCNQ2-Cam-EBIO1 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 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F801 b:78.9 occ:1.00 F1 A:7PN801 0.0 78.9 1.0 C17 A:7PN801 1.4 78.9 1.0 C18 A:7PN801 2.3 78.9 1.0 HZ A:PHE304 2.3 74.4 1.0 H13 A:7PN801 2.5 78.9 1.0 C16 A:7PN801 2.5 78.9 1.0 HD11 C:LEU221 2.7 74.1 1.0 H12 A:7PN801 2.7 78.9 1.0 HD21 C:LEU221 2.8 74.1 1.0 HE2 A:PHE304 2.8 74.4 1.0 CZ A:PHE304 2.9 74.4 1.0 CE2 A:PHE304 3.1 74.4 1.0 CD1 C:LEU221 3.6 74.1 1.0 CD2 C:LEU221 3.7 74.1 1.0 C15 A:7PN801 3.7 78.9 1.0 C19 A:7PN801 3.7 78.9 1.0 HD13 C:LEU221 3.9 74.1 1.0 HD22 C:LEU221 3.9 74.1 1.0 CE1 A:PHE304 4.0 74.4 1.0 HG21 C:VAL225 4.1 68.0 1.0 CG C:LEU221 4.1 74.1 1.0 HB A:ILE300 4.1 72.3 1.0 C14 A:7PN801 4.2 78.9 1.0 HG C:LEU221 4.2 74.1 1.0 HD12 C:LEU221 4.3 74.1 1.0 HE1 A:PHE304 4.3 74.4 1.0 CD2 A:PHE304 4.4 74.4 1.0 HD23 C:LEU221 4.4 74.1 1.0 H14 A:7PN801 4.4 78.9 1.0 H11 A:7PN801 4.4 78.9 1.0 HD11 C:LEU312 4.7 71.9 1.0 HD13 C:LEU312 4.8 71.9 1.0 CG2 C:VAL225 4.8 68.0 1.0 HD2 A:PHE304 4.9 74.4 1.0 HG21 A:ILE238 4.9 76.5 1.0 HG22 C:VAL225 4.9 68.0 1.0 HG23 C:VAL225 4.9 68.0 1.0

Fluorine binding site 2 out of 4 in the Human KCNQ2-Cam-EBIO1 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 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ B:F801 b:79.0 occ:1.00 F1 B:7PN801 0.0 79.0 1.0 C17 B:7PN801 1.4 79.0 1.0 C18 B:7PN801 2.3 79.0 1.0 HZ B:PHE304 2.3 74.9 1.0 H13 B:7PN801 2.5 79.0 1.0 C16 B:7PN801 2.5 79.0 1.0 HD11 A:LEU221 2.7 74.7 1.0 H12 B:7PN801 2.7 79.0 1.0 HD21 A:LEU221 2.8 74.7 1.0 HE2 B:PHE304 2.8 74.9 1.0 CZ B:PHE304 2.9 74.9 1.0 CE2 B:PHE304 3.1 74.9 1.0 CD1 A:LEU221 3.6 74.7 1.0 C15 B:7PN801 3.7 79.0 1.0 CD2 A:LEU221 3.7 74.7 1.0 C19 B:7PN801 3.7 79.0 1.0 HD13 A:LEU221 3.9 74.7 1.0 HD22 A:LEU221 3.9 74.7 1.0 CE1 B:PHE304 4.0 74.9 1.0 HG21 A:VAL225 4.1 68.9 1.0 CG A:LEU221 4.1 74.7 1.0 HB B:ILE300 4.1 72.0 1.0 C14 B:7PN801 4.2 79.0 1.0 HG A:LEU221 4.2 74.7 1.0 HD12 A:LEU221 4.3 74.7 1.0 HE1 B:PHE304 4.3 74.9 1.0 CD2 B:PHE304 4.4 74.9 1.0 HD23 A:LEU221 4.4 74.7 1.0 H14 B:7PN801 4.4 79.0 1.0 H11 B:7PN801 4.4 79.0 1.0 HD11 A:LEU312 4.7 72.6 1.0 HD13 A:LEU312 4.8 72.6 1.0 CG2 A:VAL225 4.8 68.9 1.0 HD2 B:PHE304 4.9 74.9 1.0 HG21 B:ILE238 4.9 76.4 1.0 HG22 A:VAL225 4.9 68.9 1.0 HG23 A:VAL225 4.9 68.9 1.0

Fluorine binding site 3 out of 4 in the Human KCNQ2-Cam-EBIO1 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 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ C:F801 b:78.7 occ:1.00 F1 C:7PN801 0.0 78.7 1.0 C17 C:7PN801 1.4 78.7 1.0 C18 C:7PN801 2.3 78.7 1.0 HZ C:PHE304 2.3 75.5 1.0 H13 C:7PN801 2.5 78.7 1.0 C16 C:7PN801 2.5 78.7 1.0 HD11 D:LEU221 2.7 74.7 1.0 H12 C:7PN801 2.7 78.7 1.0 HD21 D:LEU221 2.8 74.7 1.0 HE2 C:PHE304 2.8 75.5 1.0 CZ C:PHE304 2.9 75.5 1.0 CE2 C:PHE304 3.1 75.5 1.0 CD1 D:LEU221 3.6 74.7 1.0 CD2 D:LEU221 3.7 74.7 1.0 C15 C:7PN801 3.7 78.7 1.0 C19 C:7PN801 3.7 78.7 1.0 HD13 D:LEU221 3.9 74.7 1.0 HD22 D:LEU221 3.9 74.7 1.0 CE1 C:PHE304 4.0 75.5 1.0 HG21 D:VAL225 4.1 68.4 1.0 CG D:LEU221 4.1 74.7 1.0 HB C:ILE300 4.1 72.7 1.0 C14 C:7PN801 4.2 78.7 1.0 HG D:LEU221 4.2 74.7 1.0 HD12 D:LEU221 4.3 74.7 1.0 HE1 C:PHE304 4.3 75.5 1.0 CD2 C:PHE304 4.4 75.5 1.0 HD23 D:LEU221 4.4 74.7 1.0 H14 C:7PN801 4.4 78.7 1.0 H11 C:7PN801 4.4 78.7 1.0 HD11 D:LEU312 4.7 72.8 1.0 HD13 D:LEU312 4.8 72.8 1.0 CG2 D:VAL225 4.8 68.4 1.0 HD2 C:PHE304 4.9 75.5 1.0 HG21 C:ILE238 4.9 76.9 1.0 HG22 D:VAL225 4.9 68.4 1.0 HG23 D:VAL225 4.9 68.4 1.0

Fluorine binding site 4 out of 4 in the Human KCNQ2-Cam-EBIO1 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 Complex in the Presence of PIP2 within 5.0Å range: probe atom residue distance (Å) B Occ D:F801 b:78.8 occ:1.00 F1 D:7PN801 0.0 78.8 1.0 C17 D:7PN801 1.4 78.8 1.0 C18 D:7PN801 2.3 78.8 1.0 HZ D:PHE304 2.3 75.8 1.0 H13 D:7PN801 2.5 78.8 1.0 C16 D:7PN801 2.5 78.8 1.0 HD11 B:LEU221 2.7 74.9 1.0 H12 D:7PN801 2.7 78.8 1.0 HD21 B:LEU221 2.8 74.9 1.0 HE2 D:PHE304 2.8 75.8 1.0 CZ D:PHE304 2.9 75.8 1.0 CE2 D:PHE304 3.1 75.8 1.0 CD1 B:LEU221 3.6 74.9 1.0 C15 D:7PN801 3.7 78.8 1.0 CD2 B:LEU221 3.7 74.9 1.0 C19 D:7PN801 3.7 78.8 1.0 HD13 B:LEU221 3.9 74.9 1.0 HD22 B:LEU221 3.9 74.9 1.0 CE1 D:PHE304 4.0 75.8 1.0 HG21 B:VAL225 4.1 68.7 1.0 CG B:LEU221 4.1 74.9 1.0 HB D:ILE300 4.1 72.1 1.0 C14 D:7PN801 4.2 78.8 1.0 HG B:LEU221 4.2 74.9 1.0 HD12 B:LEU221 4.3 74.9 1.0 HE1 D:PHE304 4.3 75.8 1.0 CD2 D:PHE304 4.4 75.8 1.0 HD23 B:LEU221 4.4 74.9 1.0 H14 D:7PN801 4.4 78.8 1.0 H11 D:7PN801 4.4 78.8 1.0 HD11 B:LEU312 4.7 72.3 1.0 HD13 B:LEU312 4.8 72.3 1.0 CG2 B:VAL225 4.8 68.7 1.0 HD2 D:PHE304 4.9 75.8 1.0 HG21 D:ILE238 4.9 76.9 1.0 HG22 B:VAL225 4.9 68.7 1.0 HG23 B:VAL225 4.9 68.7 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