Magnesium in PDB 6o2p: Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)

All present enzymatic activity of Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr):
3.6.3.49;

The binding sites of Magnesium atom in the Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) (pdb code 6o2p). 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 Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr), PDB code: 6o2p:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:0.7 occ:1.00 O3G A:ATP1503 2.1 0.4 1.0 OG1 A:THR465 2.1 0.2 1.0 O2B A:ATP1503 2.1 0.6 1.0 OE1 A:GLN493 2.4 0.1 1.0 PB A:ATP1503 3.2 0.5 1.0 PG A:ATP1503 3.2 0.1 1.0 O3B A:ATP1503 3.3 0.3 1.0 CB A:THR465 3.4 0.1 1.0 CD A:GLN493 3.5 0.3 1.0 O2A A:ATP1503 3.5 0.8 1.0 NE2 A:GLN493 3.9 0.3 1.0 O3A A:ATP1503 4.1 0.9 1.0 O2G A:ATP1503 4.1 0.3 1.0 N A:THR465 4.1 0.2 1.0 OD1 A:ASP572 4.2 0.8 1.0 CG2 A:THR465 4.3 0.3 1.0 PA A:ATP1503 4.3 1.0 1.0 CA A:THR465 4.3 0.1 1.0 O1G A:ATP1503 4.3 0.9 1.0 OD2 A:ASP572 4.3 0.4 1.0 O1B A:ATP1503 4.4 0.6 1.0 CB A:HIS1348 4.6 0.8 1.0 CG A:ASP572 4.7 0.8 1.0 CG A:GLN493 4.7 0.3 1.0 O1A A:ATP1503 4.8 0.2 1.0 N A:HIS1348 4.9 0.2 1.0 CB A:GLN493 4.9 0.5 1.0 NZ A:LYS464 5.0 0.5 1.0

Magnesium binding site 2 out of 2 in the Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of Ivacaftor with Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1502 b:0.7 occ:1.00 O2B A:ATP1504 1.9 0.7 1.0 O3G A:ATP1504 2.0 0.3 1.0 OG A:SER1251 2.2 0.1 1.0 OE1 A:GLN1291 2.7 0.0 1.0 PB A:ATP1504 3.0 0.2 1.0 O3B A:ATP1504 3.0 0.1 1.0 PG A:ATP1504 3.0 0.6 1.0 CB A:SER1251 3.4 1.0 1.0 CD A:GLN1291 3.4 0.4 1.0 NE2 A:GLN1291 3.4 0.5 1.0 O2A A:ATP1504 3.5 0.7 1.0 O2G A:ATP1504 3.7 0.1 1.0 O3A A:ATP1504 3.9 0.5 1.0 OD1 A:ASP1370 4.0 0.8 1.0 N A:SER1251 4.0 0.9 1.0 O1B A:ATP1504 4.1 0.1 1.0 CA A:SER1251 4.2 0.5 1.0 PA A:ATP1504 4.2 0.2 1.0 O1G A:ATP1504 4.3 0.1 1.0 OD2 A:ASP1370 4.6 0.1 1.0 CB A:SER549 4.7 0.2 1.0 CG A:ASP1370 4.7 0.1 1.0 CG A:GLN1291 4.8 0.3 1.0 O1A A:ATP1504 4.8 0.9 1.0 CB A:LYS1250 4.9 0.1 1.0

F.Liu, Z.Zhang, A.Levit, J.Levring, K.K.Touhara, B.K.Shoichet, J.Chen. Structural Identification of A Hotspot on Cftr For Potentiation. Science V. 364 1184 2019.
ISSN: ESSN 1095-9203
PubMed: 31221859
DOI: 10.1126/SCIENCE.AAW7611