Magnesium in PDB 2cls: The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State

The structure of The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State, PDB code: 2cls was solved by A.C.W.Pike, X.Yang, S.Colebrook, O.Gileadi, F.Sobott, J.Bray, L.Wen Hwa, B.Marsden, Y.Zhao, G.Schoch, J.Elkins, J.E.Debreczeni, A.P.Turnbull, F.Vondelft, C.Arrowsmith, A.Edwards, J.Weigelt, M.Sundstrom, D.Doyle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.31
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	67.168, 67.762, 206.409, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.6

The binding sites of Magnesium atom in the The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State (pdb code 2cls). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State, PDB code: 2cls:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg550 b:24.8 occ:1.00 O3G A:GTP500 1.9 26.1 1.0 O1B A:GTP500 2.0 21.4 1.0 OG1 A:THR27 2.1 33.1 1.0 O A:HOH2078 2.1 23.4 1.0 O A:HOH2023 2.1 19.4 1.0 OG1 A:THR45 2.2 34.3 1.0 CB A:THR45 3.1 33.7 1.0 PG A:GTP500 3.1 26.1 1.0 PB A:GTP500 3.2 23.1 1.0 CB A:THR27 3.2 33.6 1.0 O3B A:GTP500 3.4 27.0 1.0 N A:THR45 3.7 34.1 1.0 O1G A:GTP500 4.0 25.7 1.0 CA A:THR45 4.0 34.1 1.0 N A:THR27 4.1 33.3 1.0 O3A A:GTP500 4.1 27.3 1.0 OD2 A:ASP67 4.1 33.5 1.0 O1A A:GTP500 4.2 30.8 1.0 CG2 A:THR45 4.2 32.9 1.0 CA A:THR27 4.2 33.1 1.0 O2B A:GTP500 4.2 24.9 1.0 CG2 A:THR27 4.3 31.4 1.0 OD1 A:ASP67 4.3 34.8 1.0 O2G A:GTP500 4.3 26.5 1.0 O A:VAL43 4.4 35.7 1.0 O A:HOH2011 4.5 34.7 1.0 PA A:GTP500 4.6 26.1 1.0 CG A:ASP67 4.6 33.6 1.0 O A:THR68 4.6 33.9 1.0 C A:PRO44 4.7 34.4 1.0 O2A A:GTP500 4.7 28.0 1.0 CB A:LYS26 5.0 33.2 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg550 b:32.7 occ:1.00 OG1 B:THR27 1.9 33.8 1.0 O2G B:GTP500 2.1 26.2 1.0 OG1 B:THR45 2.1 31.9 1.0 O1B B:GTP500 2.2 21.4 1.0 O B:HOH2012 2.2 23.7 1.0 O B:HOH2048 2.3 23.7 1.0 CB B:THR27 3.0 34.0 1.0 CB B:THR45 3.1 33.1 1.0 PG B:GTP500 3.4 26.1 1.0 PB B:GTP500 3.4 22.1 1.0 O3B B:GTP500 3.7 26.6 1.0 N B:THR45 3.8 34.1 1.0 N B:THR27 3.9 33.6 1.0 OD2 B:ASP67 3.9 30.2 1.0 CA B:THR27 4.0 33.5 1.0 CA B:THR45 4.0 34.1 1.0 CG2 B:THR27 4.1 31.6 1.0 OD1 B:ASP67 4.1 33.1 1.0 O3G B:GTP500 4.1 26.5 1.0 CG2 B:THR45 4.2 32.1 1.0 O1A B:GTP500 4.2 26.2 1.0 O B:HOH2008 4.3 27.7 1.0 O3A B:GTP500 4.4 28.7 1.0 CG B:ASP67 4.4 33.1 1.0 O2B B:GTP500 4.4 26.6 1.0 O1G B:GTP500 4.5 27.6 1.0 O B:VAL43 4.5 35.1 1.0 O B:THR68 4.6 33.5 1.0 PA B:GTP500 4.7 26.3 1.0 O2A B:GTP500 4.7 27.6 1.0 C B:PRO44 4.8 34.1 1.0 CB B:LYS26 4.9 33.2 1.0 C B:LYS26 5.0 32.9 1.0

A.C.W.Pike, X.Yang, S.Colebrook, O.Gileadi, F.Sobott, J.Bray, L.Wen Hwa, B.Marsden, Y.Zhao, G.Schoch, J.Elkins, J.E.Debreczeni, A.P.Turnbull, F.Von Delft, C.Arrowsmith, A.Edwards, J.Weigelt, M.Sundstrom, D.Doyle. The Crystal Structure of the Human RND1 Gtpase in the Active Gtp Bound State To Be Published.