Magnesium in PDB 7aun: Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8

All present enzymatic activity of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8:
3.6.1.52; 3.6.1.60;

The structure of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8, PDB code: 7aun was solved by M.A.Marquez-Monino, B.Gonzalez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.58 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.53, 61.53, 95.501, 90, 90, 120
R / Rfree (%)	21.8 / 25.6

The binding sites of Magnesium atom in the Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8 (pdb code 7aun). 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 Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8, PDB code: 7aun:

Magnesium binding site 1 out of 1 in the Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in Complex with Pcp-INSP8 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:45.1 occ:1.00 O32 A:4WZ201 2.1 63.1 0.5 O32 A:4WZ201 2.1 62.7 0.5 O61 A:4WZ201 2.2 70.6 0.5 O A:LYS63 2.2 42.0 1.0 O61 A:4WZ201 2.2 70.7 0.5 OE1 A:GLU84 2.2 46.4 1.0 O31 A:4WZ201 2.4 69.5 0.5 O31 A:4WZ201 2.5 69.7 0.5 O A:HOH319 2.7 38.6 1.0 CD A:GLU84 3.2 46.1 1.0 C A:LYS63 3.4 41.0 1.0 PA2 A:4WZ201 3.4 63.0 0.5 PA2 A:4WZ201 3.4 63.3 0.5 OE2 A:GLU84 3.5 43.7 1.0 PA1 A:4WZ201 3.6 73.3 0.5 PA1 A:4WZ201 3.6 73.4 0.5 PB1 A:4WZ201 3.6 72.8 0.5 PB1 A:4WZ201 3.7 72.9 0.5 O22 A:4WZ201 3.7 61.9 0.5 O22 A:4WZ201 3.7 62.1 0.5 CA A:GLY64 3.8 41.8 1.0 O A:HOH303 3.8 43.7 1.0 NZ A:LYS63 3.9 46.6 1.0 O11 A:4WZ201 4.0 72.1 0.5 O11 A:4WZ201 4.0 72.1 0.5 N A:GLY64 4.0 40.0 1.0 CB1 A:4WZ201 4.1 72.2 0.5 CB1 A:4WZ201 4.1 72.3 0.5 C2 A:4WZ201 4.2 68.8 0.5 C2 A:4WZ201 4.2 68.8 0.5 O12 A:4WZ201 4.2 65.2 0.5 O12 A:4WZ201 4.3 65.3 0.5 NH2 A:ARG152 4.3 58.0 1.0 OE2 A:GLU80 4.4 55.2 1.0 O51 A:4WZ201 4.4 71.4 0.5 O51 A:4WZ201 4.5 71.4 0.5 O42 A:4WZ201 4.5 63.0 0.5 O42 A:4WZ201 4.5 62.6 0.5 CA A:LYS63 4.5 41.5 1.0 N A:LYS63 4.6 39.6 1.0 CG A:GLU84 4.6 45.2 1.0 O71 A:4WZ201 4.6 71.2 0.5 O71 A:4WZ201 4.6 71.3 0.5 C1 A:4WZ201 4.7 72.5 0.5 C1 A:4WZ201 4.7 72.5 0.5 CG A:LYS63 4.8 45.1 1.0 CD A:GLU80 4.9 50.1 1.0 O21 A:4WZ201 4.9 73.2 0.5 O21 A:4WZ201 5.0 73.3 0.5

M.A.Marquez-Monino, R.Ortega-Garcia, M.L.Shipton, E.Franco-Echevarria, A.M.Riley, J.Sanz-Aparicio, B.V.L.Potter, B.Gonzalez. Multiple Substrate Recognition By Yeast Diadenosine and Diphosphoinositol Polyphosphate Phosphohydrolase Through Phosphate Clamping. Sci Adv V. 7 2021.
ISSN: ESSN 2375-2548
PubMed: 33893105
DOI: 10.1126/SCIADV.ABF6744