Fluorine in PDB 7zk3: Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution

The structure of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

6 atoms

The binding sites of Fluorine atom in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution (pdb code 7zk3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution, PDB code: 7zk3:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:32.1 occ:1.00 F01 A:JRF1003 0.0 32.1 1.0 C14 A:JRF1003 1.3 32.1 1.0 F03 A:JRF1003 2.1 32.1 1.0 F02 A:JRF1003 2.1 32.1 1.0 C11 A:JRF1003 2.5 32.1 1.0 C17 A:JRF1003 3.0 32.1 1.0 C09 A:JRF1003 3.1 32.1 1.0 OG1 A:THR539 3.2 48.6 1.0 N07 A:JRF1003 3.5 32.1 1.0 C15 A:JRF1003 3.6 32.1 1.0 CG2 A:ILE636 3.6 20.6 1.0 H151 A:JRF1003 3.8 32.1 1.0 CG2 A:VAL543 4.0 39.2 1.0 CB A:ILE636 4.2 20.6 1.0 N A:GLN637 4.4 18.8 1.0 O A:GLU633 4.5 28.0 1.0 CD1 A:ILE640 4.5 14.1 1.0 C08 A:JRF1003 4.5 32.1 1.0 CB A:THR539 4.6 48.6 1.0 CA A:GLN637 4.7 18.8 1.0 C12 A:JRF1003 4.7 32.1 1.0 C A:ILE636 4.7 20.6 1.0 CB A:GLN637 4.8 18.8 1.0 CG2 A:THR539 5.0 48.6 1.0

Fluorine binding site 2 out of 6 in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:32.1 occ:1.00 F02 A:JRF1003 0.0 32.1 1.0 C14 A:JRF1003 1.4 32.1 1.0 F01 A:JRF1003 2.1 32.1 1.0 F03 A:JRF1003 2.1 32.1 1.0 C11 A:JRF1003 2.4 32.1 1.0 O A:GLU633 2.5 28.0 1.0 N A:GLN637 2.9 18.8 1.0 C09 A:JRF1003 3.0 32.1 1.0 C17 A:JRF1003 3.0 32.1 1.0 CB A:GLN637 3.2 18.8 1.0 CA A:GLN637 3.3 18.8 1.0 C A:GLU633 3.5 28.0 1.0 C15 A:JRF1003 3.5 32.1 1.0 N07 A:JRF1003 3.5 32.1 1.0 CB A:ILE636 3.5 20.6 1.0 C A:ILE636 3.6 20.6 1.0 CG2 A:ILE636 3.6 20.6 1.0 H151 A:JRF1003 3.7 32.1 1.0 CA A:GLU633 3.9 28.0 1.0 CA A:ILE636 4.1 20.6 1.0 CB A:GLU633 4.3 28.0 1.0 CG A:GLN637 4.4 18.8 1.0 O A:ILE636 4.4 20.6 1.0 C08 A:JRF1003 4.4 32.1 1.0 N A:ILE636 4.5 20.6 1.0 N A:LEU634 4.6 19.0 1.0 C12 A:JRF1003 4.7 32.1 1.0 OE1 A:GLN637 4.7 18.8 1.0 C A:GLN637 4.8 18.8 1.0 CG1 A:ILE636 4.8 20.6 1.0 CD A:GLN637 4.9 18.8 1.0 CG A:GLU633 5.0 28.0 1.0

Fluorine binding site 3 out of 6 in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:F1003 b:32.1 occ:1.00 F03 A:JRF1003 0.0 32.1 1.0 C14 A:JRF1003 1.3 32.1 1.0 F01 A:JRF1003 2.1 32.1 1.0 F02 A:JRF1003 2.1 32.1 1.0 C11 A:JRF1003 2.5 32.1 1.0 H151 A:JRF1003 2.6 32.1 1.0 C15 A:JRF1003 2.9 32.1 1.0 CA A:GLU633 3.5 28.0 1.0 O A:GLU633 3.5 28.0 1.0 CG A:GLU633 3.6 28.0 1.0 CB A:GLU633 3.6 28.0 1.0 C09 A:JRF1003 3.8 32.1 1.0 OG1 A:THR539 3.9 48.6 1.0 C A:GLU633 4.0 28.0 1.0 CB A:ILE636 4.1 20.6 1.0 CG2 A:ILE636 4.1 20.6 1.0 C12 A:JRF1003 4.3 32.1 1.0 C17 A:JRF1003 4.3 32.1 1.0 CD1 A:ILE636 4.5 20.6 1.0 CD A:GLU633 4.8 28.0 1.0 N A:GLN637 4.8 18.8 1.0 N A:GLU633 4.8 28.0 1.0 CG1 A:ILE636 4.9 20.6 1.0 OE2 A:GLU633 4.9 28.0 1.0 H041 A:JRF1003 4.9 32.1 1.0

Fluorine binding site 4 out of 6 in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F1003 b:33.2 occ:1.00 F01 B:JRF1003 0.0 33.2 1.0 C14 B:JRF1003 1.3 33.2 1.0 F03 B:JRF1003 2.1 33.2 1.0 F02 B:JRF1003 2.1 33.2 1.0 C11 B:JRF1003 2.5 33.2 1.0 C17 B:JRF1003 3.0 33.2 1.0 C09 B:JRF1003 3.1 33.2 1.0 OG1 B:THR539 3.2 49.4 1.0 N07 B:JRF1003 3.5 33.2 1.0 C15 B:JRF1003 3.6 33.2 1.0 CG2 B:ILE636 3.6 20.9 1.0 H151 B:JRF1003 3.8 33.2 1.0 CG2 B:VAL543 4.0 39.6 1.0 CB B:ILE636 4.2 20.9 1.0 N B:GLN637 4.4 19.7 1.0 O B:GLU633 4.5 28.6 1.0 CD1 B:ILE640 4.5 15.1 1.0 C08 B:JRF1003 4.5 33.2 1.0 CB B:THR539 4.6 49.4 1.0 CA B:GLN637 4.7 19.7 1.0 C12 B:JRF1003 4.7 33.2 1.0 C B:ILE636 4.7 20.9 1.0 CB B:GLN637 4.8 19.7 1.0 CG2 B:THR539 5.0 49.4 1.0

Fluorine binding site 5 out of 6 in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F1003 b:33.2 occ:1.00 F02 B:JRF1003 0.0 33.2 1.0 C14 B:JRF1003 1.4 33.2 1.0 F01 B:JRF1003 2.1 33.2 1.0 F03 B:JRF1003 2.1 33.2 1.0 C11 B:JRF1003 2.4 33.2 1.0 O B:GLU633 2.5 28.6 1.0 N B:GLN637 2.9 19.7 1.0 C09 B:JRF1003 3.0 33.2 1.0 C17 B:JRF1003 3.0 33.2 1.0 CB B:GLN637 3.2 19.7 1.0 CA B:GLN637 3.3 19.7 1.0 C B:GLU633 3.5 28.6 1.0 C15 B:JRF1003 3.5 33.2 1.0 N07 B:JRF1003 3.5 33.2 1.0 CB B:ILE636 3.6 20.9 1.0 C B:ILE636 3.6 20.9 1.0 CG2 B:ILE636 3.6 20.9 1.0 H151 B:JRF1003 3.7 33.2 1.0 CA B:GLU633 3.9 28.6 1.0 CA B:ILE636 4.1 20.9 1.0 CB B:GLU633 4.3 28.6 1.0 CG B:GLN637 4.4 19.7 1.0 O B:ILE636 4.4 20.9 1.0 C08 B:JRF1003 4.4 33.2 1.0 N B:ILE636 4.5 20.9 1.0 N B:LEU634 4.6 19.2 1.0 C12 B:JRF1003 4.7 33.2 1.0 OE1 B:GLN637 4.7 19.7 1.0 C B:GLN637 4.8 19.7 1.0 CG1 B:ILE636 4.8 20.9 1.0 CD B:GLN637 4.9 19.7 1.0 CG B:GLU633 5.0 28.6 1.0

Fluorine binding site 6 out of 6 in the Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of 1PBC- and Calcium-Bound MTMEM16A(Ac) Chloride Channel at 2.85 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:F1003 b:33.2 occ:1.00 F03 B:JRF1003 0.0 33.2 1.0 C14 B:JRF1003 1.3 33.2 1.0 F01 B:JRF1003 2.1 33.2 1.0 F02 B:JRF1003 2.1 33.2 1.0 C11 B:JRF1003 2.5 33.2 1.0 H151 B:JRF1003 2.6 33.2 1.0 C15 B:JRF1003 2.9 33.2 1.0 CA B:GLU633 3.5 28.6 1.0 O B:GLU633 3.5 28.6 1.0 CG B:GLU633 3.6 28.6 1.0 CB B:GLU633 3.6 28.6 1.0 C09 B:JRF1003 3.8 33.2 1.0 OG1 B:THR539 3.9 49.4 1.0 C B:GLU633 4.0 28.6 1.0 CB B:ILE636 4.1 20.9 1.0 CG2 B:ILE636 4.1 20.9 1.0 C12 B:JRF1003 4.3 33.2 1.0 C17 B:JRF1003 4.3 33.2 1.0 CD1 B:ILE636 4.5 20.9 1.0 CD B:GLU633 4.8 28.6 1.0 N B:GLN637 4.8 19.7 1.0 N B:GLU633 4.8 28.6 1.0 CG1 B:ILE636 4.9 20.9 1.0 OE2 B:GLU633 4.9 28.6 1.0 H041 B:JRF1003 4.9 33.2 1.0

A.K.M.Lam, S.Rutz, R.Dutzler. Inhibition Mechanism of the Chloride Channel TMEM16A By the Pore Blocker 1PBC. Nat Commun V. 13 2798 2022.
ISSN: ESSN 2041-1723
PubMed: 35589730
DOI: 10.1038/S41467-022-30479-1