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Magnesium in PDB 8eio: The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg

Enzymatic activity of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) 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), Lumacaftor (Vx-809) and Atp/Mg:
5.6.1.6;

Other elements in 8eio:

The structure of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg also contains other interesting chemical elements:

Fluorine (F) 5 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg (pdb code 8eio). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg, PDB code: 8eio:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8eio

Go back to Magnesium Binding Sites List in 8eio
Magnesium binding site 1 out of 2 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1501

b:61.5
occ:1.00
OG1 A:THR465 2.0 60.4 1.0
OE1 A:GLN493 2.1 47.7 1.0
O3G A:ATP1503 2.1 50.5 1.0
O2B A:ATP1503 2.5 58.6 1.0
CD A:GLN493 3.0 49.8 1.0
NE2 A:GLN493 3.4 54.5 1.0
CB A:THR465 3.4 52.7 1.0
PG A:ATP1503 3.5 55.8 1.0
PB A:ATP1503 3.7 52.3 1.0
OD1 A:ASP572 3.8 57.5 1.0
O3B A:ATP1503 3.9 56.0 1.0
OD2 A:ASP572 4.0 60.4 1.0
O1G A:ATP1503 4.0 55.4 1.0
N A:THR465 4.1 47.7 1.0
CA A:THR465 4.2 47.3 1.0
O2A A:ATP1503 4.3 61.2 1.0
CG A:ASP572 4.3 59.7 1.0
CG2 A:THR465 4.3 51.8 1.0
NZ A:LYS464 4.4 52.0 1.0
CG A:GLN493 4.4 47.0 1.0
O2G A:ATP1503 4.6 61.1 1.0
CB A:HIS1348 4.6 49.0 1.0
O1B A:ATP1503 4.7 60.7 1.0
CB A:GLN493 4.7 42.5 1.0
O3A A:ATP1503 4.8 51.6 1.0

Magnesium binding site 2 out of 2 in 8eio

Go back to Magnesium Binding Sites List in 8eio
Magnesium binding site 2 out of 2 in the The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Complex of Phosphorylated Human Delta F508 Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Elexacaftor (Vx-445), Lumacaftor (Vx-809) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1502

b:27.0
occ:1.00
O3G A:ATP1504 2.0 48.7 1.0
OG A:SER1251 2.1 44.8 1.0
O2B A:ATP1504 2.2 49.6 1.0
OE1 A:GLN1291 2.3 60.7 1.0
CD A:GLN1291 3.2 57.6 1.0
PG A:ATP1504 3.2 48.5 1.0
CB A:SER1251 3.2 35.0 1.0
PB A:ATP1504 3.4 36.8 1.0
O3B A:ATP1504 3.4 48.1 1.0
NE2 A:GLN1291 3.5 58.4 1.0
O2A A:ATP1504 3.6 55.2 1.0
O1G A:ATP1504 4.0 56.3 1.0
N A:SER1251 4.2 36.1 1.0
CA A:SER1251 4.3 30.6 1.0
OD1 A:ASP1370 4.3 61.7 1.0
O3A A:ATP1504 4.3 42.9 1.0
OG A:SER549 4.4 44.7 1.0
OD2 A:ASP1370 4.4 59.6 1.0
O2G A:ATP1504 4.4 46.3 1.0
O1B A:ATP1504 4.5 44.9 1.0
PA A:ATP1504 4.6 48.7 1.0
CG A:GLN1291 4.6 52.5 1.0
N A:GLY550 4.7 52.6 1.0
CG A:ASP1370 4.8 62.2 1.0
CB A:GLN1291 4.9 48.2 1.0
O1A A:ATP1504 4.9 39.8 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 Oct 4 01:14:57 2024

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