Fluorine in PDB 8sun: TMEM16F 1PBC

The structure of TMEM16F 1PBC also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Fluorine atom in the TMEM16F 1PBC (pdb code 8sun). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the TMEM16F 1PBC, PDB code: 8sun:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the TMEM16F 1PBC


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of TMEM16F 1PBC within 5.0Å range: probe atom residue distance (Å) B Occ B:F906 b:20.0 occ:1.00 F01 B:JRF906 0.0 20.0 1.0 C14 B:JRF906 1.4 20.0 1.0 F02 B:JRF906 2.3 20.0 1.0 F03 B:JRF906 2.3 20.0 1.0 C11 B:JRF906 2.4 20.0 1.0 C15 B:JRF906 3.2 20.0 1.0 H151 B:JRF906 3.2 20.0 1.0 C09 B:JRF906 3.3 20.0 1.0 C17 B:JRF906 3.5 20.0 1.0 N07 B:JRF906 4.1 20.0 1.0 HZ1 B:LYS370 4.2 59.2 1.0 C12 B:JRF906 4.4 20.0 1.0 C08 B:JRF906 4.5 20.0 1.0 HZ B:PHE321 4.6 47.6 1.0 HE2 B:TYR325 4.7 58.6 1.0 HZ2 B:LYS370 4.7 59.2 1.0 HZ3 B:LYS370 4.7 59.2 1.0 NZ B:LYS370 4.8 59.2 1.0 N05 B:JRF906 5.0 20.0 1.0

Fluorine binding site 2 out of 3 in the TMEM16F 1PBC


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of TMEM16F 1PBC within 5.0Å range: probe atom residue distance (Å) B Occ B:F906 b:20.0 occ:1.00 F02 B:JRF906 0.0 20.0 1.0 C14 B:JRF906 1.4 20.0 1.0 F01 B:JRF906 2.3 20.0 1.0 F03 B:JRF906 2.3 20.0 1.0 C11 B:JRF906 2.4 20.0 1.0 C17 B:JRF906 2.4 20.0 1.0 N07 B:JRF906 2.7 20.0 1.0 C09 B:JRF906 2.7 20.0 1.0 HZ B:PHE321 3.0 47.6 1.0 HE2 B:TYR325 3.4 58.6 1.0 HZ1 B:LYS370 3.5 59.2 1.0 C15 B:JRF906 3.6 20.0 1.0 HZ2 B:LYS370 3.7 59.2 1.0 HD2 B:TYR325 3.8 58.6 1.0 CZ B:PHE321 3.9 47.6 1.0 H151 B:JRF906 4.0 20.0 1.0 NZ B:LYS370 4.0 59.2 1.0 CE2 B:TYR325 4.2 58.6 1.0 C08 B:JRF906 4.2 20.0 1.0 HE2 B:PHE321 4.2 47.6 1.0 CD2 B:TYR325 4.3 58.6 1.0 HZ3 B:LYS370 4.4 59.2 1.0 CE2 B:PHE321 4.5 47.6 1.0 HG21 B:ILE373 4.6 55.2 1.0 C12 B:JRF906 4.7 20.0 1.0 HG13 B:ILE373 4.8 55.2 1.0 HE1 B:PHE321 4.8 47.6 1.0 CE1 B:PHE321 4.9 47.6 1.0 N05 B:JRF906 5.0 20.0 1.0

Fluorine binding site 3 out of 3 in the TMEM16F 1PBC


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of TMEM16F 1PBC within 5.0Å range: probe atom residue distance (Å) B Occ B:F906 b:20.0 occ:1.00 F03 B:JRF906 0.0 20.0 1.0 C14 B:JRF906 1.4 20.0 1.0 F01 B:JRF906 2.3 20.0 1.0 F02 B:JRF906 2.3 20.0 1.0 C11 B:JRF906 2.4 20.0 1.0 H151 B:JRF906 2.5 20.0 1.0 HZ B:PHE321 2.8 47.6 1.0 C15 B:JRF906 2.8 20.0 1.0 HE2 B:PHE321 3.2 47.6 1.0 CZ B:PHE321 3.4 47.6 1.0 C09 B:JRF906 3.6 20.0 1.0 CE2 B:PHE321 3.6 47.6 1.0 C12 B:JRF906 4.1 20.0 1.0 C17 B:JRF906 4.1 20.0 1.0 CE1 B:PHE321 4.6 47.6 1.0 HD2 B:TYR325 4.8 58.6 1.0 C08 B:JRF906 4.8 20.0 1.0 HE2 B:TYR325 4.8 58.6 1.0 N07 B:JRF906 4.8 20.0 1.0 HE1 B:PHE321 4.9 47.6 1.0 CD2 B:PHE321 4.9 47.6 1.0 O04 B:JRF906 4.9 20.0 1.0 N05 B:JRF906 4.9 20.0 1.0 H041 B:JRF906 5.0 20.0 1.0

S.Feng, C.Puchades, J.Ko, H.Wu, Y.Chen, E.E.Figueroa, S.Gu, T.W.Han, B.Ho, T.Cheng, J.Li, B.Shoichet, Y.N.Jan, Y.Cheng, L.Y.Jan. Identification of A Drug Binding Pocket in TMEM16F Calcium-Activated Ion Channel and Lipid Scramblase. Nat Commun V. 14 4874 2023.
ISSN: ESSN 2041-1723
PubMed: 37573365
DOI: 10.1038/S41467-023-40410-X