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Magnesium 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:

Fluorine (F) 6 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 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 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 Trikafta [Elexacaftor (Vx-445), Tezacaftor (Vx-661), Ivacaftor (Vx-770)] and Atp/Mg, PDB code: 8eiq:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8eiq

Go back to Magnesium Binding Sites List in 8eiq
Magnesium binding site 1 out of 2 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 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 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:Mg1501

b:75.5
occ:1.00
OG1 A:THR465 1.9 72.5 1.0
OE1 A:GLN493 1.9 69.9 1.0
O3G A:ATP1503 2.0 68.7 1.0
O2B A:ATP1503 2.1 75.0 1.0
CD A:GLN493 3.0 68.7 1.0
CB A:THR465 3.2 64.4 1.0
PG A:ATP1503 3.4 68.5 1.0
PB A:ATP1503 3.5 71.9 1.0
NE2 A:GLN493 3.5 69.9 1.0
O3B A:ATP1503 3.7 72.2 1.0
O2A A:ATP1503 3.9 64.0 1.0
CG2 A:THR465 4.1 58.4 1.0
N A:THR465 4.1 63.9 1.0
CG A:GLN493 4.1 71.5 1.0
CA A:THR465 4.2 61.8 1.0
OD2 A:ASP572 4.3 91.4 1.0
OD1 A:ASP572 4.3 87.5 1.0
O1G A:ATP1503 4.3 72.2 1.0
O2G A:ATP1503 4.3 76.6 1.0
O1B A:ATP1503 4.4 74.7 1.0
O3A A:ATP1503 4.4 77.6 1.0
CB A:HIS1348 4.7 72.9 1.0
CG A:ASP572 4.7 89.1 1.0
PA A:ATP1503 4.8 71.7 1.0

Magnesium binding site 2 out of 2 in 8eiq

Go back to Magnesium Binding Sites List in 8eiq
Magnesium binding site 2 out of 2 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 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 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:Mg1502

b:55.2
occ:1.00
O3G A:ATP1504 2.0 64.6 1.0
OE1 A:GLN1291 2.1 76.1 1.0
OG A:SER1251 2.3 54.3 1.0
O2B A:ATP1504 2.5 74.2 1.0
CD A:GLN1291 2.9 73.6 1.0
NE2 A:GLN1291 3.2 74.0 1.0
PG A:ATP1504 3.4 65.0 1.0
CB A:SER1251 3.6 54.9 1.0
PB A:ATP1504 3.7 67.4 1.0
O3B A:ATP1504 3.8 67.1 1.0
OD1 A:ASP1370 4.0 86.8 1.0
O1G A:ATP1504 4.1 70.6 1.0
OD2 A:ASP1370 4.1 87.1 1.0
O2A A:ATP1504 4.2 73.8 1.0
CG A:GLN1291 4.3 74.9 1.0
N A:SER1251 4.4 61.5 1.0
CG A:ASP1370 4.5 85.8 1.0
O2G A:ATP1504 4.5 68.5 1.0
CA A:SER1251 4.5 52.9 1.0
CB A:GLN1291 4.7 76.6 1.0
O1B A:ATP1504 4.7 70.2 1.0
O3A A:ATP1504 4.7 66.9 1.0
N A:GLY550 5.0 63.3 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 01:15:08 2024

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