Magnesium in PDB 8ubr: Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg

All present enzymatic activity of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg:
5.6.1.6;

The structure of Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg (pdb code 8ubr). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg, PDB code: 8ubr:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 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 Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:7.5 occ:1.00 OG1 A:THR465 2.0 14.6 1.0 O3G A:ATP1502 2.1 23.8 1.0 O A:HOH1603 2.1 30.0 1.0 O A:HOH1604 2.2 30.0 1.0 OE1 A:GLN493 2.2 25.9 1.0 O2B A:ATP1502 2.4 23.8 1.0 CB A:THR465 3.3 3.6 1.0 CD A:GLN493 3.3 20.6 1.0 PG A:ATP1502 3.4 21.5 1.0 PB A:ATP1502 3.6 8.9 1.0 O3B A:ATP1502 3.7 19.8 1.0 NE2 A:GLN493 3.8 26.1 1.0 OD1 A:ASP572 4.1 38.7 1.0 OD2 A:ASP572 4.1 25.9 1.0 N A:THR465 4.1 8.6 1.0 O2A A:ATP1502 4.2 19.2 1.0 CG2 A:THR465 4.2 12.1 1.0 CA A:THR465 4.3 5.7 1.0 O1G A:ATP1502 4.3 33.1 1.0 O2G A:ATP1502 4.4 24.1 1.0 O3A A:ATP1502 4.5 19.2 1.0 CG A:ASP572 4.5 30.0 1.0 CG A:GLN493 4.6 18.3 1.0 O1B A:ATP1502 4.8 21.6 1.0 CB A:GLN493 4.8 20.9 1.0 PA A:ATP1502 4.8 31.5 1.0

Magnesium binding site 2 out of 2 in the Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 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 Complex of the Phosphorylated Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) with Cftrinh-172 and Atp/Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1509 b:30.0 occ:1.00 O3G A:ATP1503 1.9 34.4 1.0 O A:HOH1602 1.9 30.0 1.0 O A:HOH1601 1.9 30.0 1.0 OG A:SER1251 2.0 20.0 1.0 O2B A:ATP1503 2.3 18.6 1.0 OE1 A:GLN1291 2.8 27.7 1.0 PG A:ATP1503 3.2 21.3 1.0 CB A:SER1251 3.3 15.1 1.0 PB A:ATP1503 3.4 16.1 1.0 O3B A:ATP1503 3.4 21.3 1.0 O2A A:ATP1503 3.6 26.8 1.0 CD A:GLN1291 3.7 23.4 1.0 O3A A:ATP1503 4.0 18.5 1.0 NE2 A:GLN1291 4.0 26.3 1.0 O2G A:ATP1503 4.1 15.8 1.0 N A:SER1251 4.1 14.2 1.0 O1G A:ATP1503 4.2 24.9 1.0 PA A:ATP1503 4.3 20.8 1.0 CA A:SER1251 4.3 5.8 1.0 OD1 A:ASP1370 4.4 40.0 1.0 OD2 A:ASP1370 4.7 34.2 1.0 O1B A:ATP1503 4.7 11.4 1.0 CB A:SER549 4.7 7.2 1.0 O1A A:ATP1503 4.8 5.4 1.0 CG A:GLN1291 4.9 20.6 1.0 N A:GLY550 4.9 9.9 1.0 CG A:ASP1370 5.0 35.9 1.0

P.G.Young, J.Levring, K.Fiedorczuk, S.C.Blanchard, J.Chen. Structural Basis For Cftr Inhibition By Cftrinh-172 To Be Published.