Magnesium in PDB 6dre: Adp-Ribosyltransferase Toxin/Immunity Pair

All present enzymatic activity of Adp-Ribosyltransferase Toxin/Immunity Pair:
3.2.2.24;

The structure of Adp-Ribosyltransferase Toxin/Immunity Pair, PDB code: 6dre was solved by D.E.Bosch, S.Ting, M.Allaire, J.D.Mougous, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	66.90 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	136.355, 51.036, 94.899, 90.00, 123.71, 90.00
R / Rfree (%)	15.1 / 19.5

The binding sites of Magnesium atom in the Adp-Ribosyltransferase Toxin/Immunity Pair (pdb code 6dre). 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 Adp-Ribosyltransferase Toxin/Immunity Pair, PDB code: 6dre:

Magnesium binding site 1 out of 1 in the Adp-Ribosyltransferase Toxin/Immunity Pair


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Adp-Ribosyltransferase Toxin/Immunity Pair within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:22.7 occ:1.00 O A:HOH782 2.2 25.2 1.0 OD1 A:ASP117 2.3 20.7 1.0 OD2 A:ASP317 2.3 31.4 1.0 O A:HOH501 2.3 41.6 1.0 OG1 A:THR116 2.3 18.8 1.0 OD2 A:ASP161 2.4 29.2 1.0 OD1 A:ASP118 2.5 25.0 1.0 CG A:ASP317 3.4 27.0 1.0 CB A:THR116 3.4 15.9 1.0 CG A:ASP117 3.5 26.9 1.0 CG A:ASP161 3.5 35.0 1.0 CG A:ASP118 3.7 22.5 1.0 N A:ASP117 3.9 17.4 1.0 O A:HOH619 3.9 21.7 1.0 N A:ASP118 4.0 15.0 1.0 OD1 A:ASP317 4.1 25.0 1.0 OD1 A:ASP83 4.1 17.6 1.0 OD2 A:ASP117 4.2 23.5 1.0 CG2 A:THR116 4.3 17.9 1.0 OD1 A:ASP161 4.3 41.7 1.0 CB A:ASP317 4.3 27.4 1.0 CB A:ASP161 4.3 30.2 1.0 OD2 A:ASP118 4.4 22.0 1.0 CB A:ASP117 4.5 21.0 1.0 C A:THR116 4.6 16.5 1.0 CA A:ASP117 4.6 19.7 1.0 O A:HOH684 4.6 30.0 1.0 CA A:THR116 4.6 14.7 1.0 CB A:ASP118 4.7 15.9 1.0 C A:ASP117 4.8 14.5 1.0 CA A:ASP118 4.9 14.5 1.0 O A:ASP161 4.9 28.7 1.0 CG A:ASP83 5.0 16.1 1.0

S.Y.Ting, D.E.Bosch, S.M.Mangiameli, M.C.Radey, S.Huang, Y.J.Park, K.A.Kelly, S.K.Filip, Y.A.Goo, J.K.Eng, M.Allaire, D.Veesler, P.A.Wiggins, S.B.Peterson, J.D.Mougous. Bifunctional Immunity Proteins Protect Bacteria Against Ftsz-Targeting Adp-Ribosylating Toxins. Cell V. 175 1380 2018.
ISSN: ISSN 1097-4172
PubMed: 30343895
DOI: 10.1016/J.CELL.2018.09.037