Atomistry » Fluorine » PDB 8e26-8ekt » 8eiq
Atomistry »
  Fluorine »
    PDB 8e26-8ekt »
      8eiq »

Fluorine in PDB 8eiq: The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg

Enzymatic activity of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg

All present enzymatic activity of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg:
5.6.1.6;

Other elements in 8eiq:

The structure of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] 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 Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg (pdb code 8eiq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg, PDB code: 8eiq:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8eiq

Go back to Fluorine Binding Sites List in 8eiq
Fluorine binding site 1 out of 6 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] 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 Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1508

b:62.5
occ:1.00
 F A:WJX1508 0.0 62.5 1.0
C17 A:WJX1508 1.3 60.3 1.0
F1 A:WJX1508 2.1 62.1 1.0
F2 A:WJX1508 2.1 59.4 1.0
C14 A:WJX1508 2.4 57.9 1.0
C16 A:WJX1508 2.8 50.3 1.0
C15 A:WJX1508 3.0 51.8 1.0
CD1 A:ILE132 3.5 56.6 1.0
CG1 A:ILE132 3.6 57.9 1.0
C13 A:WJX1508 3.7 56.2 1.0
CG2 A:ILE132 4.1 52.2 1.0
CB A:ILE132 4.5 51.7 1.0
O A:WJX1508 4.8 54.7 1.0
CG1 A:VAL1108 4.9 41.7 1.0

Fluorine binding site 2 out of 6 in 8eiq

Go back to Fluorine Binding Sites List in 8eiq
Fluorine binding site 2 out of 6 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] 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 Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1508

b:62.1
occ:1.00
 F1 A:WJX1508 0.0 62.1 1.0
C17 A:WJX1508 1.3 60.3 1.0
F A:WJX1508 2.1 62.5 1.0
F2 A:WJX1508 2.1 59.4 1.0
C14 A:WJX1508 2.4 57.9 1.0
C13 A:WJX1508 2.8 56.2 1.0
C16 A:WJX1508 3.0 50.3 1.0
C15 A:WJX1508 3.7 51.8 1.0
O A:WJX1508 4.1 54.7 1.0
CE A:MET1105 4.5 50.4 1.0

Fluorine binding site 3 out of 6 in 8eiq

Go back to Fluorine Binding Sites List in 8eiq
Fluorine binding site 3 out of 6 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] 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 Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1508

b:59.4
occ:1.00
 F2 A:WJX1508 0.0 59.4 1.0
C17 A:WJX1508 1.3 60.3 1.0
F A:WJX1508 2.1 62.5 1.0
F1 A:WJX1508 2.1 62.1 1.0
C14 A:WJX1508 2.4 57.9 1.0
C15 A:WJX1508 2.8 51.8 1.0
C13 A:WJX1508 2.9 56.2 1.0
C16 A:WJX1508 3.7 50.3 1.0
CE A:MET1105 3.9 50.4 1.0
O A:WJX1508 4.3 54.7 1.0
CG A:MET1105 4.3 51.3 1.0
CB A:MET1105 4.6 39.4 1.0
CG2 A:ILE132 4.7 52.2 1.0
SD A:MET1105 4.8 73.4 1.0
CG1 A:ILE132 4.8 57.9 1.0

Fluorine binding site 4 out of 6 in 8eiq

Go back to Fluorine Binding Sites List in 8eiq
Fluorine binding site 4 out of 6 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1509

b:66.3
occ:1.00
 F A:CV61509 0.0 66.3 1.0
C9 A:CV61509 1.4 53.3 1.0
C8 A:CV61509 2.3 54.0 1.0
C10 A:CV61509 2.3 51.5 1.0
N1 A:CV61509 2.7 53.4 1.0
CG1 A:ILE70 3.5 56.9 1.0
C11 A:CV61509 3.6 60.9 1.0
C7 A:CV61509 3.6 56.2 1.0
CZ3 A:TRP361 3.6 42.4 1.0
CD1 A:ILE70 3.7 62.0 1.0
C15 A:CV61509 4.0 54.2 1.0
C6 A:CV61509 4.1 61.0 1.0
CH2 A:TRP361 4.2 47.4 1.0
C24 A:CV61509 4.2 53.0 1.0
CD2 A:LEU365 4.3 47.6 1.0
C19 A:CV61509 4.5 51.8 1.0
C23 A:CV61509 4.6 49.8 1.0
C14 A:CV61509 4.7 62.8 1.0
CE3 A:TRP361 4.7 40.7 1.0
C5 A:D121506 4.7 61.4 1.0
C16 A:CV61509 4.8 46.3 1.0
N A:CV61509 4.9 61.7 1.0
C6 A:D121506 4.9 62.2 1.0
O3 A:CV61509 4.9 61.0 1.0
CB A:ILE70 5.0 52.3 1.0

Fluorine binding site 5 out of 6 in 8eiq

Go back to Fluorine Binding Sites List in 8eiq
Fluorine binding site 5 out of 6 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1509

b:62.5
occ:1.00
 F1 A:CV61509 0.0 62.5 1.0
C25 A:CV61509 1.3 55.6 1.0
F2 A:CV61509 2.1 57.6 1.0
O5 A:CV61509 2.2 57.8 1.0
O4 A:CV61509 2.2 51.3 1.0
C22 A:CV61509 3.2 50.3 1.0
C21 A:CV61509 3.2 51.6 1.0
CD2 A:TRP361 3.4 43.7 1.0
CE2 A:TRP361 3.5 48.0 1.0
CE3 A:TRP361 3.5 40.7 1.0
CB A:ALA198 3.7 42.6 1.0
CZ3 A:TRP361 3.8 42.4 1.0
CZ2 A:TRP361 3.8 46.9 1.0
CG A:TRP361 3.9 40.0 1.0
CH2 A:TRP361 4.0 47.4 1.0
OG A:SER364 4.0 53.1 1.0
CB A:SER364 4.0 44.3 1.0
NE1 A:TRP361 4.1 43.5 1.0
CG2 A:THR360 4.1 31.7 1.0
CA A:TRP361 4.2 31.1 1.0
CD1 A:TRP361 4.2 45.1 1.0
C23 A:CV61509 4.4 49.8 1.0
C20 A:CV61509 4.4 51.5 1.0
O A:THR360 4.5 48.5 1.0
N A:TRP361 4.5 33.2 1.0
C A:THR360 4.6 37.9 1.0
CB A:TRP361 4.6 33.6 1.0
CA A:ALA198 4.7 39.0 1.0

Fluorine binding site 6 out of 6 in 8eiq

Go back to Fluorine Binding Sites List in 8eiq
Fluorine binding site 6 out of 6 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1509

b:57.6
occ:1.00
 F2 A:CV61509 0.0 57.6 1.0
C25 A:CV61509 1.3 55.6 1.0
F1 A:CV61509 2.1 62.5 1.0
O5 A:CV61509 2.2 57.8 1.0
O4 A:CV61509 2.2 51.3 1.0
C21 A:CV61509 3.0 51.6 1.0
C22 A:CV61509 3.0 50.3 1.0
OG A:SER364 3.3 53.1 1.0
CD1 A:LEU195 3.7 53.6 1.0
CB A:SER364 3.8 44.3 1.0
CG2 A:THR360 3.9 31.7 1.0
CG A:LEU195 3.9 45.3 1.0
CB A:ALA198 4.0 42.6 1.0
CA A:LEU195 4.2 53.0 1.0
N A:LEU195 4.3 48.0 1.0
C20 A:CV61509 4.3 51.5 1.0
C23 A:CV61509 4.4 49.8 1.0
C A:GLY194 4.4 52.8 1.0
O A:GLY194 4.4 62.1 1.0
CB A:LEU195 4.7 43.8 1.0
O A:THR360 5.0 48.5 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 18:11:26 2024

Last articles

Na in 4DRT
Na in 4DRR
Na in 4DOC
Na in 4DOB
Na in 4DMI
Na in 4DOA
Na in 4DF9
Na in 4DO9
Na in 4DOU
Na in 4DN0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy