Magnesium in PDB 6drh: 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: 6drh 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)	49.54 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.169, 151.006, 196.904, 90.00, 90.00, 90.00
R / Rfree (%)	15.2 / 20.6

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

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 C:Mg400 b:39.8 occ:1.00 OD2 C:ASP317 2.2 37.5 1.0 OD2 C:ASP161 2.3 44.0 1.0 OD1 C:ASP117 2.4 30.6 1.0 OG1 C:THR116 2.6 23.7 1.0 O C:HOH634 2.6 42.6 1.0 OD1 C:ASP118 2.7 33.0 1.0 CG C:ASP317 3.3 29.3 1.0 CG C:ASP161 3.3 42.7 1.0 CG C:ASP117 3.6 29.8 1.0 CB C:THR116 3.6 20.1 1.0 CG C:ASP118 3.8 26.8 1.0 OD1 C:ASP161 3.9 47.6 1.0 OD1 C:ASP317 4.0 35.0 1.0 N C:ASP117 4.0 20.9 1.0 O C:HOH562 4.0 37.4 1.0 OD2 C:ASP117 4.2 35.6 1.0 CB C:ASP317 4.2 25.9 1.0 OD2 C:ASP118 4.3 32.5 1.0 N C:ASP118 4.3 18.1 1.0 CG2 C:THR116 4.4 15.5 1.0 CB C:ASP161 4.4 34.4 1.0 OD1 C:ASP83 4.4 21.2 1.0 CB C:ASP117 4.6 23.8 1.0 O C:ASP161 4.7 39.3 1.0 CA C:ASP117 4.7 20.8 1.0 C C:THR116 4.8 21.6 1.0 CA C:THR116 4.8 20.1 1.0 CB C:ASP118 5.0 19.4 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