Magnesium in PDB 7txh: Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA

All present enzymatic activity of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA:
3.1.3.16; 3.6.5.2;

The structure of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA, PDB code: 7txh was solved by Z.J.Hauseman, J.Viscomi, A.Dhembi, K.Clark, D.A.King, M.Fodor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.26 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	72.959, 115.755, 137.804, 90, 100.31, 90
R / Rfree (%)	16.7 / 21

The structure of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Magnesium atom in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA (pdb code 7txh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA, PDB code: 7txh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:24.3 occ:1.00 O A:HOH334 2.0 23.1 1.0 O2G A:GNP201 2.0 24.4 1.0 O2B A:GNP201 2.1 22.7 1.0 OG A:SER27 2.1 25.4 1.0 O A:HOH340 2.1 25.8 1.0 OG1 A:THR45 2.2 26.2 1.0 CB A:THR45 3.1 25.3 1.0 CB A:SER27 3.1 24.2 1.0 PG A:GNP201 3.2 26.6 1.0 PB A:GNP201 3.3 26.8 1.0 N3B A:GNP201 3.5 22.4 1.0 N A:THR45 3.8 26.8 1.0 N A:SER27 3.9 25.4 1.0 OD2 A:ASP67 4.0 30.6 1.0 CA A:THR45 4.0 26.5 1.0 O3G A:GNP201 4.0 27.4 1.0 CA A:SER27 4.0 26.7 1.0 O1A A:GNP201 4.2 25.4 1.0 OD1 A:ASP67 4.2 31.2 1.0 CG2 A:THR45 4.2 25.8 1.0 O1B A:GNP201 4.3 27.1 1.0 O A:HOH317 4.3 27.9 1.0 O1G A:GNP201 4.4 25.4 1.0 O3A A:GNP201 4.4 26.8 1.0 CG A:ASP67 4.4 29.4 1.0 O A:THR68 4.5 27.0 1.0 O A:ASP43 4.5 29.4 1.0 PA A:GNP201 4.6 26.4 1.0 O2A A:GNP201 4.7 25.2 1.0 C A:PRO44 4.8 26.2 1.0 CB A:LYS26 4.8 26.4 1.0 O A:HOH381 4.8 39.5 1.0 C A:LYS26 4.9 24.8 1.0 CE A:LYS26 5.0 27.4 1.0

Magnesium binding site 2 out of 2 in the Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Mras Q71R in Complex with Human SHOC2 Lrr Domain M173I and Human PP1CA within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg202 b:19.1 occ:1.00 O2G D:GNP201 2.0 19.9 1.0 O2B D:GNP201 2.0 18.4 1.0 OG D:SER27 2.1 17.5 1.0 O D:HOH1327 2.1 18.7 1.0 OG1 D:THR45 2.1 17.8 1.0 O D:HOH1337 2.3 20.6 1.0 CB D:SER27 3.1 17.4 1.0 CB D:THR45 3.1 19.6 1.0 PG D:GNP201 3.2 21.0 1.0 PB D:GNP201 3.2 19.3 1.0 N3B D:GNP201 3.4 18.9 1.0 N D:THR45 3.8 20.3 1.0 N D:SER27 3.8 17.6 1.0 OD2 D:ASP67 4.0 23.7 1.0 O3G D:GNP201 4.0 22.3 1.0 CA D:SER27 4.0 18.0 1.0 CA D:THR45 4.1 18.5 1.0 O1A D:GNP201 4.1 20.0 1.0 OD1 D:ASP67 4.2 23.3 1.0 CG2 D:THR45 4.2 20.7 1.0 O1B D:GNP201 4.2 17.6 1.0 O1G D:GNP201 4.3 18.5 1.0 O3A D:GNP201 4.3 17.7 1.0 O D:HOH1357 4.4 22.2 1.0 CG D:ASP67 4.4 22.4 1.0 O D:THR68 4.5 18.9 1.0 O D:ASP43 4.5 21.5 1.0 PA D:GNP201 4.5 19.4 1.0 O2A D:GNP201 4.6 18.2 1.0 C D:PRO44 4.8 18.3 1.0 CB D:LYS26 4.8 18.3 1.0 C D:LYS26 4.9 19.4 1.0 NZ D:LYS26 4.9 20.0 1.0 CE D:LYS26 5.0 19.3 1.0

Z.J.Hauseman, M.Fodor, A.Dhembi, J.Viscomi, D.Egli, M.Bleu, S.Katz, E.Park, D.M.Jang, K.A.Porter, F.Meili, H.Guo, G.Kerr, S.Molle, C.Velez-Vega, K.S.Beyer, G.G.Galli, S.M.Maira, T.Stams, K.Clark, M.J.Eck, L.Tordella, C.R.Thoma, D.A.King. Structure of the Mras-SHOC2-PP1C Phosphatase Complex. Nature V. 609 416 2022.
ISSN: ESSN 1476-4687
PubMed: 35830882
DOI: 10.1038/S41586-022-05086-1