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Fluorine in PDB 8eig: The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg

Enzymatic activity of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg

All present enzymatic activity of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg:
5.6.1.6;

Other elements in 8eig:

The structure of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg 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 Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg (pdb code 8eig). 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 Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg, PDB code: 8eig:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 8eig

Go back to Fluorine Binding Sites List in 8eig
Fluorine binding site 1 out of 3 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg


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 Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1506

b:31.7
occ:1.00
F A:WJX1506 0.0 31.7 1.0
C17 A:WJX1506 1.3 31.7 1.0
F1 A:WJX1506 2.1 31.7 1.0
F2 A:WJX1506 2.1 31.7 1.0
C14 A:WJX1506 2.4 31.7 1.0
C16 A:WJX1506 2.8 31.7 1.0
C15 A:WJX1506 2.9 31.7 1.0
CD1 A:ILE132 3.3 29.9 1.0
C13 A:WJX1506 3.7 31.7 1.0
CG2 A:ILE132 4.0 29.9 1.0
O A:WJX1506 4.2 31.7 1.0
CG1 A:ILE132 4.2 29.9 1.0
CB A:ILE132 4.7 29.9 1.0

Fluorine binding site 2 out of 3 in 8eig

Go back to Fluorine Binding Sites List in 8eig
Fluorine binding site 2 out of 3 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg


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 Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1506

b:31.7
occ:1.00
F1 A:WJX1506 0.0 31.7 1.0
C17 A:WJX1506 1.3 31.7 1.0
F A:WJX1506 2.1 31.7 1.0
F2 A:WJX1506 2.1 31.7 1.0
C14 A:WJX1506 2.4 31.7 1.0
C13 A:WJX1506 2.8 31.7 1.0
C16 A:WJX1506 2.9 31.7 1.0
O A:WJX1506 3.3 31.7 1.0
C15 A:WJX1506 3.7 31.7 1.0
SD A:MET1105 3.8 28.2 1.0
N3 A:WJX1506 4.1 31.7 1.0
C12 A:WJX1506 4.2 31.7 1.0
CG A:MET1105 4.2 28.2 1.0
CE2 A:PHE16 4.2 29.7 1.0
CZ A:PHE16 4.6 29.7 1.0

Fluorine binding site 3 out of 3 in 8eig

Go back to Fluorine Binding Sites List in 8eig
Fluorine binding site 3 out of 3 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg


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 Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1506

b:31.7
occ:1.00
F2 A:WJX1506 0.0 31.7 1.0
C17 A:WJX1506 1.3 31.7 1.0
F A:WJX1506 2.1 31.7 1.0
F1 A:WJX1506 2.1 31.7 1.0
C14 A:WJX1506 2.4 31.7 1.0
O A:WJX1506 2.6 31.7 1.0
C15 A:WJX1506 2.8 31.7 1.0
C13 A:WJX1506 2.9 31.7 1.0
CG A:MET1105 3.1 28.2 1.0
C16 A:WJX1506 3.7 31.7 1.0
C12 A:WJX1506 3.7 31.7 1.0
SD A:MET1105 3.7 28.2 1.0
CD1 A:ILE132 4.2 29.9 1.0
N3 A:WJX1506 4.3 31.7 1.0
CB A:MET1105 4.5 28.2 1.0
O A:MET1105 4.8 28.2 1.0
C11 A:WJX1506 4.8 31.7 1.0
CA A:MET1105 4.9 28.2 1.0

Reference:

K.Fiedorczuk, J.Chen. Molecular Structures Reveal Synergistic Rescue of Delta 508 Cftr By Trikafta Modulators. Science V. 378 284 2022.
ISSN: ESSN 1095-9203
PubMed: 36264792
DOI: 10.1126/SCIENCE.ADE2216
Page generated: Fri Aug 2 18:09:29 2024

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