Magnesium in PDB 8v81: Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator

All present enzymatic activity of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator:
5.6.1.6;

The structure of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator (pdb code 8v81). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator, PDB code: 8v81:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:12.9 occ:1.00 OE1 A:GLN493 2.0 14.5 1.0 O3G A:ATP1503 2.1 14.7 1.0 CD A:GLN493 2.6 14.5 1.0 OG1 A:THR465 2.7 11.3 1.0 O2B A:ATP1503 2.7 14.7 1.0 NE2 A:GLN493 2.8 14.5 1.0 PG A:ATP1503 3.5 14.7 1.0 PB A:ATP1503 3.8 14.7 1.0 O3B A:ATP1503 3.9 14.7 1.0 CG A:GLN493 4.0 14.5 1.0 CB A:THR465 4.1 11.3 1.0 OD1 A:ASP572 4.1 13.5 1.0 O2G A:ATP1503 4.3 14.7 1.0 CB A:GLN493 4.4 14.5 1.0 O1B A:ATP1503 4.5 14.7 1.0 O1G A:ATP1503 4.5 14.7 1.0 OD2 A:ASP572 4.5 13.5 1.0 CB A:HIS1348 4.6 15.1 1.0 CG A:ASP572 4.7 13.5 1.0 CG2 A:THR465 4.8 11.3 1.0 N A:THR465 4.8 11.3 1.0 CA A:THR465 5.0 11.3 1.0

Magnesium binding site 2 out of 2 in the Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Phosphorylated, Atp-Bound, Inhibitor 172-Bound E1371Q Human Cystic Fibrosis Transmembrane Conductance Regulator within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1502 b:16.0 occ:1.00 OE1 A:GLN1291 2.0 16.4 1.0 O3G A:ATP1504 2.0 18.2 1.0 CD A:GLN1291 2.6 16.4 1.0 OG A:SER1251 2.8 15.0 1.0 NE2 A:GLN1291 3.1 16.4 1.0 PG A:ATP1504 3.5 18.2 1.0 CG A:GLN1291 3.8 16.4 1.0 O3B A:ATP1504 3.9 18.2 1.0 CB A:SER1251 4.0 15.0 1.0 OD1 A:ASP1370 4.2 17.6 1.0 O2B A:ATP1504 4.2 18.2 1.0 O1G A:ATP1504 4.4 18.2 1.0 O2G A:ATP1504 4.4 18.2 1.0 CB A:GLN1291 4.4 16.4 1.0 OD2 A:ASP1370 4.6 17.6 1.0 PB A:ATP1504 4.8 18.2 1.0 OE1 A:GLN1371 4.8 19.9 1.0 N A:GLY550 4.8 14.6 1.0 CG A:ASP1370 4.9 17.6 1.0 N A:SER1251 5.0 15.0 1.0

X.Gao, H.Yeh, Z.Yang, C.Fan, F.Jiang, R.J.Howard, E.Lindahl, J.C.Kappes, T.Hwang. Allosteric Inhibition of Cftr Gating By Cftrinh-172 Binding in the Pore Nat Commun 2024.
ISSN: ESSN 2041-1723