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Magnesium 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:

Fluorine (F) 3 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) and Atp/Mg (pdb code 8eig). 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) and Atp/Mg, PDB code: 8eig:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 8eig

Go back to Magnesium Binding Sites List in 8eig
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) 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) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1501

b:27.6
occ:1.00
O3G A:ATP1503 2.0 56.6 1.0
OG1 A:THR465 2.1 30.9 1.0
O2B A:ATP1503 2.6 56.6 1.0
PG A:ATP1503 3.1 56.6 1.0
CB A:THR465 3.2 30.9 1.0
O3B A:ATP1503 3.4 56.6 1.0
O2A A:ATP1503 3.4 56.6 1.0
NE2 A:GLN493 3.4 31.7 1.0
O1G A:ATP1503 3.5 56.6 1.0
PB A:ATP1503 3.6 56.6 1.0
N A:THR465 4.1 30.9 1.0
CG2 A:THR465 4.2 30.9 1.0
CA A:THR465 4.3 30.9 1.0
O2G A:ATP1503 4.4 56.6 1.0
O3A A:ATP1503 4.4 56.6 1.0
PA A:ATP1503 4.5 56.6 1.0
CD A:GLN493 4.6 31.7 1.0
OD2 A:ASP572 4.6 32.6 1.0
OD1 A:ASP572 4.7 32.6 1.0
O1A A:ATP1503 4.8 56.6 1.0
O1B A:ATP1503 4.8 56.6 1.0

Magnesium binding site 2 out of 2 in 8eig

Go back to Magnesium Binding Sites List in 8eig
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) 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) and Atp/Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1502

b:42.7
occ:1.00
O2B A:ATP1504 1.9 52.4 1.0
O3G A:ATP1504 2.3 52.4 1.0
OG A:SER1251 2.4 27.7 1.0
O3B A:ATP1504 2.4 52.4 1.0
PB A:ATP1504 2.7 52.4 1.0
PG A:ATP1504 2.8 52.4 1.0
CB A:SER1251 3.3 27.7 1.0
O2A A:ATP1504 3.4 52.4 1.0
O1G A:ATP1504 3.5 52.4 1.0
O1B A:ATP1504 3.7 52.4 1.0
O3A A:ATP1504 3.7 52.4 1.0
N A:SER1251 4.0 27.7 1.0
PA A:ATP1504 4.1 52.4 1.0
O2G A:ATP1504 4.2 52.4 1.0
CA A:SER1251 4.2 27.7 1.0
OG A:SER549 4.3 35.4 1.0
OD1 A:ASP1370 4.5 28.2 1.0
O1A A:ATP1504 4.7 52.4 1.0
CB A:LYS1250 4.7 27.7 1.0
NE2 A:GLN1291 4.8 27.2 1.0
OD2 A:ASP1370 4.8 28.2 1.0
CD A:LYS1250 4.9 27.7 1.0
C A:LYS1250 4.9 27.7 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 01:14:54 2024

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