Magnesium in PDB 8gls: Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853

All present enzymatic activity of Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853:
5.6.1.6;

The structure of Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853 also contains other interesting chemical elements:

Fluorine

(F)

1 atom

The binding sites of Magnesium atom in the Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853 (pdb code 8gls). 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 Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853, PDB code: 8gls:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:96.0 occ:1.00 O3G A:ATP1503 2.0 99.8 1.0 OE1 A:GLN493 2.0 92.0 1.0 NE2 A:GLN493 2.2 92.0 1.0 CD A:GLN493 2.3 92.0 1.0 O2B A:ATP1503 2.7 99.8 1.0 O1B A:ATP1503 3.1 99.8 1.0 CG2 A:THR465 3.2 91.7 1.0 PB A:ATP1503 3.2 99.8 1.0 PG A:ATP1503 3.3 99.8 1.0 O3B A:ATP1503 3.8 99.8 1.0 NZ A:LYS464 3.8 92.3 1.0 CG A:GLN493 3.8 92.0 1.0 O1G A:ATP1503 3.9 99.8 1.0 OG1 A:THR465 4.0 91.7 1.0 CB A:THR465 4.3 91.7 1.0 CE A:LYS464 4.4 92.3 1.0 O2G A:ATP1503 4.5 99.8 1.0 CB A:GLN493 4.6 92.0 1.0 CB A:HIS1348 4.6 90.1 1.0 O3A A:ATP1503 4.8 99.8 1.0 N A:THR465 4.8 91.7 1.0 OG A:SER573 4.9 97.2 1.0 OD1 A:ASP572 5.0 94.6 1.0

Magnesium binding site 2 out of 2 in the Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Complex of Human Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) and Z1834339853 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1502 b:87.1 occ:1.00 O3G A:ATP1504 2.1 95.0 1.0 NE2 A:GLN1291 2.1 88.8 1.0 CD A:GLN1291 2.4 88.8 1.0 OE1 A:GLN1291 2.4 88.8 1.0 OE1 A:GLN1371 2.8 99.5 1.0 PG A:ATP1504 3.5 95.0 1.0 CG A:GLN1291 3.6 88.8 1.0 OG A:SER1251 3.7 89.8 1.0 CE1 A:HIS1402 3.9 107.6 1.0 O2B A:ATP1504 3.9 95.0 1.0 OD2 A:ASP1370 3.9 92.5 1.0 CD A:GLN1371 4.0 99.5 1.0 O2G A:ATP1504 4.1 95.0 1.0 O1G A:ATP1504 4.3 95.0 1.0 O3B A:ATP1504 4.5 95.0 1.0 NZ A:LYS1250 4.5 91.9 1.0 PB A:ATP1504 4.6 95.0 1.0 CB A:GLN1291 4.7 88.8 1.0 CB A:GLN1371 4.7 99.5 1.0 ND1 A:HIS1402 4.7 107.6 1.0 NE2 A:HIS1402 4.7 107.6 1.0 NE2 A:GLN1371 4.8 99.5 1.0 O1B A:ATP1504 4.8 95.0 1.0 CB A:SER1251 4.9 89.8 1.0 CG A:ASP1370 4.9 92.5 1.0 CE A:LYS1250 4.9 91.9 1.0 CG A:GLN1371 5.0 99.5 1.0

F.Liu, A.L.Kaplan, J.Levring, J.Einsiedel, S.Tiedt, K.Distler, N.S.Omattage, I.S.Kondratov, Y.S.Moroz, J.J.Irwin, P.Gmeiner, B.K.Shoichet, J.Chen. Structure-Based Discovery of Positive and Negative Cftr Modulators To Be Published.