Magnesium in PDB 9mhd: 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 9mhd). 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: 9mhd:
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:Mg403 b:62.8 occ:1.00 O2G B:AGS402 2.0 47.7 1.0 O B:HOH502 2.1 63.7 1.0 OG B:SER64 2.2 58.9 1.0 O1B B:AGS402 2.7 60.6 1.0 O B:HOH503 2.8 52.4 1.0 CB B:SER64 3.4 46.1 1.0 OG D:SER146 3.5 63.3 1.0 PG B:AGS402 3.6 52.0 1.0 O B:HOH501 3.7 67.2 1.0 PB B:AGS402 3.7 54.1 1.0 O3A B:AGS402 3.9 56.8 1.0 O3B B:AGS402 4.1 54.6 1.0 O3G B:AGS402 4.5 50.6 1.0 CA B:SER64 4.5 36.9 1.0 N B:SER64 4.6 33.7 1.0 S1G B:AGS402 4.6 65.8 1.0 OD2 B:ASP168 4.7 86.5 1.0 O2A B:AGS402 4.9 49.0 1.0 CB D:SER146 4.9 57.8 1.0 PA B:AGS402 4.9 42.8 1.0 N D:SER146 5.0 45.3 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:62.8 occ:1.00 O2G D:AGS301 2.0 47.7 1.0 O D:HOH402 2.1 63.7 1.0 OG D:SER64 2.2 58.9 1.0 O1B D:AGS301 2.7 60.6 1.0 O D:HOH403 2.8 52.4 1.0 CB D:SER64 3.4 46.1 1.0 OG B:SER146 3.5 63.3 1.0 PG D:AGS301 3.6 52.0 1.0 O D:HOH401 3.7 67.2 1.0 PB D:AGS301 3.7 54.1 1.0 O3A D:AGS301 3.9 56.8 1.0 O3B D:AGS301 4.1 54.6 1.0 O3G D:AGS301 4.5 50.6 1.0 CA D:SER64 4.5 36.9 1.0 N D:SER64 4.6 33.7 1.0 S1G D:AGS301 4.6 65.8 1.0 OD2 D:ASP168 4.7 86.5 1.0 O2A D:AGS301 4.9 49.0 1.0 CB B:SER146 4.9 57.8 1.0 PA D:AGS301 4.9 42.8 1.0 N B:SER146 5.0 45.3 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