Magnesium in PDB 8osm: Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure

All present enzymatic activity of Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure:
3.6.5.2;

The structure of Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure, PDB code: 8osm was solved by N.Colloc'h, E.Girard, T.Prange, H.R.Kalbitzer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.34 / 2.05
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	39.371, 39.371, 158.899, 90, 90, 120
R / Rfree (%)	17.1 / 22.4

The binding sites of Magnesium atom in the Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure (pdb code 8osm). 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 Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure, PDB code: 8osm:

Magnesium binding site 1 out of 1 in the Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Gtpase Hras in Complex with Zn-Cyclen at 200 Mpa Pressure within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:23.4 occ:1.00 O A:HOH302 1.9 24.0 1.0 OG A:SER17 2.0 24.4 1.0 O2G A:GNP201 2.0 26.6 1.0 OG1 A:THR35 2.1 26.3 1.0 O2B A:GNP201 2.1 18.8 1.0 O A:HOH301 2.2 25.3 1.0 CB A:SER17 3.0 22.9 1.0 CB A:THR35 3.1 25.9 1.0 PG A:GNP201 3.3 28.6 1.0 PB A:GNP201 3.3 23.8 1.0 N3B A:GNP201 3.5 16.6 1.0 N A:THR35 3.7 27.1 1.0 N A:SER17 3.7 25.0 1.0 CA A:SER17 3.9 23.4 1.0 OD2 A:ASP57 3.9 30.3 1.0 CA A:THR35 4.0 27.0 1.0 O2A A:GNP201 4.0 23.2 1.0 OD1 A:ASP57 4.2 29.0 1.0 O3G A:GNP201 4.2 36.4 1.0 CG2 A:THR35 4.2 27.9 1.0 O A:HOH335 4.2 36.2 1.0 O1G A:GNP201 4.3 32.7 1.0 O A:ASP33 4.3 28.7 1.0 O1B A:GNP201 4.3 20.4 1.0 O3A A:GNP201 4.4 18.7 1.0 CG A:ASP57 4.4 25.5 1.0 PA A:GNP201 4.5 25.1 1.0 O A:THR58 4.5 34.0 1.0 O1A A:GNP201 4.5 25.4 1.0 C A:PRO34 4.7 32.5 1.0 CB A:LYS16 4.8 20.6 1.0 C A:LYS16 4.8 20.0 1.0 CE A:LYS16 4.9 23.2 1.0 CA A:PRO34 5.0 28.4 1.0

E.Girard, P.Lopes, M.Spoerner, A.C.Dhaussy, T.Prange, H.R.Kalbitzer, N.Colloc'h. High Pressure Promotes Binding of the Allosteric Inhibitor ZN2+-Cyclen in Crystals of Activated H-Ras. Chemistry 00304 2024.
ISSN: ISSN 0947-6539
PubMed: 38647362
DOI: 10.1002/CHEM.202400304