Magnesium in PDB 7pw4: Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor

All present enzymatic activity of Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor:
2.7.11.1;

The structure of Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor (pdb code 7pw4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor, PDB code: 7pw4:

Magnesium binding site 1 out of 1 in the Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human SMG1-8-9 Kinase Complex Bound to A SMG1 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg602 b:50.2 occ:0.00 OG1 C:THR253 2.0 50.0 1.0 OG C:SER218 2.1 45.0 1.0 O1G C:ATP601 2.3 51.9 1.0 O3B C:ATP601 2.6 51.9 1.0 PG C:ATP601 2.9 51.9 1.0 CB C:SER218 3.2 45.0 1.0 CB C:THR253 3.2 50.0 1.0 PB C:ATP601 3.5 51.9 1.0 O3A C:ATP601 3.5 51.9 1.0 O2B C:ATP601 3.6 51.9 1.0 O3G C:ATP601 3.6 51.9 1.0 N C:THR253 3.9 50.0 1.0 N C:SER218 4.1 45.0 1.0 CA C:THR253 4.1 50.0 1.0 CA C:SER218 4.2 45.0 1.0 CG2 C:THR253 4.2 50.0 1.0 O2G C:ATP601 4.2 51.9 1.0 O C:ARG239 4.3 55.3 1.0 O1A C:ATP601 4.5 51.9 1.0 PA C:ATP601 4.6 51.9 1.0 CB C:GLN252 4.8 56.7 1.0 OD2 C:ASP269 4.9 46.2 1.0 O1B C:ATP601 4.9 51.9 1.0 NZ C:LYS217 4.9 44.8 1.0 C C:GLN252 5.0 56.7 1.0

L.M.Langer, F.Bonneau, Y.Gat, E.Conti. Cryo-Em Reconstructions of Inhibitor-Bound SMG1 Kinase Reveal An Autoinhibitory State Dependent on SMG8. Elife V. 10 2021.
ISSN: ESSN 2050-084X
PubMed: 34698635
DOI: 10.7554/ELIFE.72353