Fluorine in PDB 7sv7: The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661)

Enzymatic activity of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661)

All present enzymatic activity of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661):
5.6.1.6;

Other elements in 7sv7:

The structure of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661) also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661) (pdb code 7sv7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661), PDB code: 7sv7:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7sv7

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Fluorine binding site 1 out of 3 in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661)


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 Tezacaftor (Vx-661) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1515

b:54.2
occ:1.00
 F A:CV61515 0.0 54.2 1.0
C9 A:CV61515 1.4 54.2 1.0
C8 A:CV61515 2.3 54.2 1.0
C10 A:CV61515 2.3 54.2 1.0
N1 A:CV61515 2.7 54.2 1.0
CZ3 A:TRP361 3.3 46.6 1.0
CG1 A:ILE70 3.4 56.1 1.0
CD1 A:ILE70 3.4 56.1 1.0
C11 A:CV61515 3.6 54.2 1.0
C7 A:CV61515 3.6 54.2 1.0
CH2 A:TRP361 3.7 46.6 1.0
C24 A:CV61515 4.0 54.2 1.0
C15 A:CV61515 4.0 54.2 1.0
C6 A:CV61515 4.1 54.2 1.0
CD2 A:LEU365 4.1 50.2 1.0
C19 A:CV61515 4.3 54.2 1.0
C23 A:CV61515 4.4 54.2 1.0
CE3 A:TRP361 4.5 46.6 1.0
C16 A:CV61515 4.7 54.2 1.0
N A:CV61515 4.9 54.2 1.0
CB A:ILE70 4.9 56.1 1.0
O3 A:CV61515 4.9 54.2 1.0
C20 A:CV61515 5.0 54.2 1.0

Fluorine binding site 2 out of 3 in 7sv7

Go back to Fluorine Binding Sites List in 7sv7
Fluorine binding site 2 out of 3 in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661)


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 Tezacaftor (Vx-661) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1515

b:54.2
occ:1.00
 F1 A:CV61515 0.0 54.2 1.0
C25 A:CV61515 1.3 54.2 1.0
F2 A:CV61515 2.1 54.2 1.0
O5 A:CV61515 2.2 54.2 1.0
O4 A:CV61515 2.2 54.2 1.0
C22 A:CV61515 3.2 54.2 1.0
C21 A:CV61515 3.3 54.2 1.0
CD2 A:TRP361 3.4 46.6 1.0
CE2 A:TRP361 3.5 46.6 1.0
CG A:TRP361 3.6 46.6 1.0
CE3 A:TRP361 3.7 46.6 1.0
CA A:TRP361 3.8 46.6 1.0
NE1 A:TRP361 3.9 46.6 1.0
CB A:SER364 3.9 51.5 1.0
CB A:ALA198 3.9 46.0 1.0
CD1 A:TRP361 3.9 46.6 1.0
OG A:SER364 4.1 51.5 1.0
CZ2 A:TRP361 4.1 46.6 1.0
O A:THR360 4.1 45.9 1.0
N A:TRP361 4.2 46.6 1.0
CZ3 A:TRP361 4.2 46.6 1.0
CB A:TRP361 4.3 46.6 1.0
C A:THR360 4.3 45.9 1.0
CH2 A:TRP361 4.4 46.6 1.0
CG2 A:THR360 4.4 45.9 1.0
C23 A:CV61515 4.5 54.2 1.0
C20 A:CV61515 4.5 54.2 1.0
C A:TRP361 4.9 46.6 1.0
CA A:ALA198 4.9 46.0 1.0
O A:TRP361 4.9 46.6 1.0
CD2 A:LEU195 4.9 50.4 1.0

Fluorine binding site 3 out of 3 in 7sv7

Go back to Fluorine Binding Sites List in 7sv7
Fluorine binding site 3 out of 3 in the The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Complex of Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Atp/Mg and Tezacaftor (Vx-661) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1515

b:54.2
occ:1.00
 F2 A:CV61515 0.0 54.2 1.0
C25 A:CV61515 1.3 54.2 1.0
F1 A:CV61515 2.1 54.2 1.0
O5 A:CV61515 2.2 54.2 1.0
O4 A:CV61515 2.2 54.2 1.0
C21 A:CV61515 2.9 54.2 1.0
C22 A:CV61515 3.0 54.2 1.0
OG A:SER364 3.3 51.5 1.0
CB A:SER364 3.6 51.5 1.0
CD2 A:LEU195 3.6 50.4 1.0
CG A:LEU195 4.0 50.4 1.0
CB A:ALA198 4.1 46.0 1.0
C20 A:CV61515 4.2 54.2 1.0
CG2 A:THR360 4.3 45.9 1.0
C23 A:CV61515 4.3 54.2 1.0
CA A:LEU195 4.6 50.4 1.0
N A:LEU195 4.8 50.4 1.0
O A:THR360 4.8 45.9 1.0
C A:GLY194 4.9 55.2 1.0
CB A:LEU195 4.9 50.4 1.0
O A:GLY194 4.9 55.2 1.0

Reference:

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
Page generated: Fri Aug 2 13:08:32 2024

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