Fluorine in PDB 7svd: The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809)

All present enzymatic activity of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809):
5.6.1.6;

The structure of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Fluorine atom in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809) (pdb code 7svd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809), PDB code: 7svd:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1511 b:43.2 occ:1.00 F1 A:VX81511 0.0 43.2 1.0 C20 A:VX81511 1.4 43.2 1.0 F2 A:VX81511 2.2 43.2 1.0 O4 A:VX81511 2.2 43.2 1.0 O5 A:VX81511 2.3 43.2 1.0 CD2 A:LEU195 3.0 42.8 1.0 C17 A:VX81511 3.0 43.2 1.0 C16 A:VX81511 3.1 43.2 1.0 OG A:SER364 3.1 41.4 1.0 CB A:SER364 3.7 41.4 1.0 CG2 A:THR360 4.1 38.9 1.0 O A:GLY194 4.1 45.6 1.0 CG A:LEU195 4.1 42.8 1.0 C18 A:VX81511 4.3 43.2 1.0 C15 A:VX81511 4.3 43.2 1.0 C A:GLY194 4.3 45.6 1.0 CA A:LEU195 4.4 42.8 1.0 N A:LEU195 4.5 42.8 1.0 CB A:ALA198 4.5 39.3 1.0 CB A:LEU195 4.9 42.8 1.0 O A:THR360 4.9 38.9 1.0

Fluorine binding site 2 out of 2 in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Lumacaftor (Vx-809) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1511 b:43.2 occ:1.00 F2 A:VX81511 0.0 43.2 1.0 C20 A:VX81511 1.4 43.2 1.0 F1 A:VX81511 2.2 43.2 1.0 O5 A:VX81511 2.2 43.2 1.0 O4 A:VX81511 2.3 43.2 1.0 C16 A:VX81511 3.3 43.2 1.0 C17 A:VX81511 3.3 43.2 1.0 CG2 A:THR360 3.4 38.9 1.0 CB A:ALA198 3.6 39.3 1.0 CD2 A:TRP361 3.6 38.4 1.0 OG A:SER364 3.7 41.4 1.0 CE3 A:TRP361 3.8 38.4 1.0 CE2 A:TRP361 3.8 38.4 1.0 CA A:TRP361 3.9 38.4 1.0 CG A:TRP361 3.9 38.4 1.0 CB A:SER364 4.0 41.4 1.0 O A:THR360 4.0 38.9 1.0 N A:TRP361 4.1 38.4 1.0 C A:THR360 4.1 38.9 1.0 CZ3 A:TRP361 4.2 38.4 1.0 NE1 A:TRP361 4.2 38.4 1.0 CZ2 A:TRP361 4.2 38.4 1.0 CD1 A:TRP361 4.3 38.4 1.0 CH2 A:TRP361 4.4 38.4 1.0 CB A:TRP361 4.5 38.4 1.0 CA A:ALA198 4.6 39.3 1.0 CB A:THR360 4.6 38.9 1.0 C15 A:VX81511 4.7 43.2 1.0 CD2 A:LEU195 4.7 42.8 1.0 O A:GLY194 4.7 45.6 1.0 C18 A:VX81511 4.7 43.2 1.0

K.Fiedorczuk, J.Chen. Mechanism of Cftr Correction By Type I Folding Correctors. Cell V. 185 158 2022.
ISSN: ISSN 1097-4172
PubMed: 34995514
DOI: 10.1016/J.CELL.2021.12.009