Magnesium in PDB 6ott: Structure of Purf in Complex with Ppapp

All present enzymatic activity of Structure of Purf in Complex with Ppapp:
2.4.2.14;

The structure of Structure of Purf in Complex with Ppapp, PDB code: 6ott was solved by R.A.Grant, B.Wang, M.T.Laub, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.61 / 2.55
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	115.230, 156.830, 107.480, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 26.1

The binding sites of Magnesium atom in the Structure of Purf in Complex with Ppapp (pdb code 6ott). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Purf in Complex with Ppapp, PDB code: 6ott:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Purf in Complex with Ppapp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Purf in Complex with Ppapp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:80.2 occ:1.00 O6 A:N7Y602 2.4 63.0 0.5 O12 A:N7Y602 2.5 63.0 0.5 O7 A:N7Y602 2.5 63.0 0.5 O13 A:N7Y602 2.6 63.0 0.5 H2 A:N7Y602 3.4 75.5 0.5 P1 A:N7Y602 3.6 63.0 0.5 P3 A:N7Y602 3.6 63.0 0.5 P A:N7Y602 3.7 63.0 0.5 HH12 A:ARG45 3.7 65.7 1.0 O3 A:N7Y602 3.7 63.0 0.5 P2 A:N7Y602 3.7 63.0 0.5 O9 A:N7Y602 3.8 63.0 0.5 HH22 A:ARG45 4.3 66.5 1.0 C7 A:N7Y602 4.4 63.0 0.5 O1 A:N7Y602 4.4 63.0 0.5 O8 A:N7Y602 4.4 63.0 0.5 O10 A:N7Y602 4.5 63.0 0.5 NH1 A:ARG45 4.5 54.8 1.0 O4 A:N7Y602 4.5 63.0 0.5 O5 A:N7Y602 4.7 63.0 0.5 O11 A:N7Y602 4.7 63.2 0.5 O2 A:N7Y602 5.0 63.0 0.5 O14 A:N7Y602 5.0 63.0 0.5

Magnesium binding site 2 out of 2 in the Structure of Purf in Complex with Ppapp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Purf in Complex with Ppapp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:75.2 occ:1.00 O6 B:N7Y602 2.4 63.0 0.5 O12 B:N7Y602 2.4 63.0 0.5 O7 B:N7Y602 2.5 63.0 0.5 O13 B:N7Y602 2.6 63.0 0.5 H2 B:N7Y602 3.5 75.5 0.5 P3 B:N7Y602 3.6 63.0 0.5 P1 B:N7Y602 3.6 63.0 0.5 P B:N7Y602 3.6 63.0 0.5 O3 B:N7Y602 3.7 63.0 0.5 P2 B:N7Y602 3.7 78.1 0.5 O9 B:N7Y602 3.8 63.0 0.5 HH12 B:ARG45 3.8 83.9 1.0 C7 B:N7Y602 4.4 63.0 0.5 O8 B:N7Y602 4.4 63.0 0.5 O1 B:N7Y602 4.4 63.0 0.5 HH22 B:ARG45 4.4 83.3 1.0 O10 B:N7Y602 4.5 63.0 0.5 O4 B:N7Y602 4.6 63.0 0.5 O5 B:N7Y602 4.6 63.0 0.5 O11 B:N7Y602 4.6 63.0 0.5 NH1 B:ARG45 4.7 69.9 1.0 O2 B:N7Y602 4.9 63.0 0.5 O14 B:N7Y602 5.0 63.0 0.5

S.Ahmad, B.Wang, M.D.Walker, H.R.Tran, P.J.Stogios, A.Savchenko, R.A.Grant, A.G.Mcarthur, M.T.Laub, J.C.Whitney. An Interbacterial Toxin Inhibits Target Cell Growth By Synthesizing (P)Ppapp. Nature 2019.
ISSN: ESSN 1476-4687
PubMed: 31695193
DOI: 10.1038/S41586-019-1735-9