Fluorine in PDB 8sun: TMEM16F 1PBC

Other elements in 8sun:

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

Calcium (Ca) 3 atoms

Fluorine Binding Sites:

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 8sun

Go back to Fluorine Binding Sites List in 8sun
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 8sun

Go back to Fluorine Binding Sites List in 8sun
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 8sun

Go back to Fluorine Binding Sites List in 8sun
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

Reference:

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
Page generated: Sat Aug 3 00:09:42 2024

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