Magnesium in PDB 9cfl: Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S

All present enzymatic activity of Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S:
7.5.2.4;

The binding sites of Magnesium atom in the Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S (pdb code 9cfl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S, PDB code: 9cfl:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg302 b:37.6 occ:1.00 O2G B:AGS301 1.9 30.8 1.0 OG B:SER64 2.6 38.5 1.0 O B:HOH404 2.8 50.0 1.0 O B:HOH402 2.9 50.0 1.0 O B:HOH401 2.9 50.0 1.0 O1B B:AGS301 3.1 26.4 1.0 PG B:AGS301 3.4 32.7 1.0 OG D:SER146 3.5 40.7 1.0 CB B:SER64 3.7 23.1 1.0 CB D:SER146 3.9 27.5 1.0 N D:SER146 4.1 29.7 1.0 PB B:AGS301 4.2 18.2 1.0 S1G B:AGS301 4.2 49.6 1.0 O3B B:AGS301 4.3 40.3 1.0 O3G B:AGS301 4.3 29.6 1.0 O2A B:AGS301 4.3 27.9 1.0 OE2 B:GLU169 4.5 64.1 1.0 CA D:SER146 4.6 18.5 1.0 CB D:SER145 4.7 25.0 1.0 OD2 B:ASP168 4.8 60.6 1.0 O3A B:AGS301 4.8 27.6 1.0 N D:GLY147 4.9 23.7 1.0 OG D:SER145 4.9 35.2 1.0 CA B:SER64 5.0 18.2 1.0

Magnesium binding site 2 out of 2 in the Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryo-Em Structure of S. Aureus Targh in Complex with Atp-Gamma-S within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg302 b:37.6 occ:1.00 O2G D:AGS301 1.9 30.8 1.0 OG D:SER64 2.6 38.5 1.0 O D:HOH404 2.8 50.0 1.0 O D:HOH402 2.9 50.0 1.0 O D:HOH401 2.9 50.0 1.0 O1B D:AGS301 3.1 26.4 1.0 PG D:AGS301 3.4 32.7 1.0 OG B:SER146 3.6 40.7 1.0 CB D:SER64 3.7 23.1 1.0 CB B:SER146 4.0 27.5 1.0 PB D:AGS301 4.2 18.2 1.0 S1G D:AGS301 4.2 49.6 1.0 N B:SER146 4.2 29.7 1.0 O3B D:AGS301 4.3 40.3 1.0 O3G D:AGS301 4.3 29.6 1.0 O2A D:AGS301 4.3 27.9 1.0 OE2 D:GLU169 4.5 64.1 1.0 CA B:SER146 4.7 18.5 1.0 OD2 D:ASP168 4.8 60.6 1.0 O3A D:AGS301 4.8 27.6 1.0 CB B:SER145 4.8 25.0 1.0 CA D:SER64 5.0 18.2 1.0 N B:GLY147 5.0 23.7 1.0

F.K.K.Li, S.C.Peters, L.J.Worrall, T.Sun, J.Hu, M.Vuckovic, M.Farha, A.Palacios, N.A.Caveney, E.D.Brown, N.C.J.Strynadka. Cryo-Em Analyses Unveil Details of Mechanism and Targocil-II Mediated Inhibition of S. Aureus Wta Transporter Targh. Nat Commun V. 16 3224 2025.
ISSN: ESSN 2041-1723
PubMed: 40185711
DOI: 10.1038/S41467-025-58202-W