Magnesium in PDB 6sdx: Salmonella Atpase Invc with Atp Gamma S

The structure of Salmonella Atpase Invc with Atp Gamma S, PDB code: 6sdx was solved by I.Bernal, J.Roemermann, L.Flacht, M.Lunelli, C.Uetrecht, M.Kolbe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.95 / 2.65
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	107.898, 107.898, 73.847, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 22.4

The binding sites of Magnesium atom in the Salmonella Atpase Invc with Atp Gamma S (pdb code 6sdx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Salmonella Atpase Invc with Atp Gamma S, PDB code: 6sdx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Salmonella Atpase Invc 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 Salmonella Atpase Invc with Atp Gamma S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:98.6 occ:1.00 O3G A:AGS501 2.2 0.8 1.0 OG1 A:THR166 2.7 78.0 1.0 O A:HOH611 2.8 70.1 1.0 O2B A:AGS501 2.8 0.4 1.0 OD1 A:ASP249 2.9 69.7 1.0 OD2 A:ASP249 3.3 74.0 1.0 CG A:ASP249 3.4 67.3 1.0 PG A:AGS501 3.7 0.7 1.0 CB A:THR166 3.9 73.2 1.0 PB A:AGS501 4.0 0.2 1.0 N A:THR166 4.1 77.0 1.0 O3B A:AGS501 4.2 0.9 1.0 OE1 A:GLU188 4.3 0.9 1.0 CB A:LYS165 4.4 71.2 1.0 CA A:THR166 4.5 74.5 1.0 S1G A:AGS501 4.7 0.9 1.0 O1B A:AGS501 4.7 0.2 1.0 CE A:LYS165 4.7 90.5 1.0 O2G A:AGS501 4.7 0.9 1.0 O2A A:AGS501 4.8 0.1 1.0 CB A:ASP249 4.9 55.0 1.0 C A:LYS165 4.9 81.0 1.0

Magnesium binding site 2 out of 2 in the Salmonella Atpase Invc 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 Salmonella Atpase Invc with Atp Gamma S within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:89.8 occ:1.00 OH A:TYR274 2.8 80.0 1.0 O A:ALA311 3.3 1.0 1.0 OE2 A:GLU306 3.3 0.9 1.0 CD A:PRO313 3.4 0.7 1.0 CE1 A:TYR274 3.4 82.8 1.0 CZ A:TYR274 3.5 79.5 1.0 C A:ALA311 3.9 0.8 1.0 CB A:MET314 3.9 82.4 1.0 CG A:PRO313 3.9 0.5 1.0 CG A:MET314 4.0 85.2 1.0 N A:MET314 4.1 92.6 1.0 N A:PRO313 4.1 0.0 1.0 CA A:ASP312 4.1 0.9 1.0 CB A:ALA311 4.1 0.5 1.0 CD A:GLU306 4.3 0.6 1.0 OD1 A:ASP312 4.4 0.8 1.0 N A:ASP312 4.4 0.6 1.0 C A:ASP312 4.5 0.4 1.0 CD1 A:TYR274 4.6 78.8 1.0 CA A:ALA311 4.6 0.6 1.0 CA A:MET314 4.6 83.7 1.0 CE2 A:TYR274 4.7 74.0 1.0 CG A:ARG272 4.9 0.0 1.0 OE1 A:GLU306 4.9 0.5 1.0

I.Bernal, J.Romermann, L.Flacht, M.Lunelli, C.Uetrecht, M.Kolbe. Structural Analysis of Ligand-Bound States of the Salmonella Type III Secretion System Atpase Invc. Protein Sci. V. 28 1888 2019.
ISSN: ESSN 1469-896X
PubMed: 31393998
DOI: 10.1002/PRO.3704