Magnesium in PDB 3reg: Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium

The structure of Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium, PDB code: 3reg was solved by D.E.Bosch, C.Qiu, D.P.Siderovski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.96 / 1.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	36.468, 39.497, 63.578, 81.75, 80.76, 65.44
R / Rfree (%)	17.2 / 22.2

The binding sites of Magnesium atom in the Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium (pdb code 3reg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium, PDB code: 3reg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg550 b:21.0 occ:1.00 O2G A:GSP538 2.1 19.3 1.0 O A:HOH201 2.1 17.6 1.0 OG1 A:THR34 2.2 22.2 1.0 O2B A:GSP538 2.3 19.2 1.0 O A:HOH203 2.3 18.9 1.0 OG1 A:THR52 2.4 31.3 1.0 CB A:THR52 3.0 36.9 1.0 CB A:THR34 3.2 19.3 1.0 PG A:GSP538 3.2 24.6 1.0 PB A:GSP538 3.3 22.6 1.0 O3B A:GSP538 3.5 19.6 1.0 N A:THR52 3.7 28.1 1.0 O3G A:GSP538 3.8 26.9 1.0 N A:THR34 3.9 14.9 1.0 OD2 A:ASP74 3.9 26.6 1.0 CA A:THR52 4.0 32.7 1.0 CA A:THR34 4.1 19.1 1.0 OD1 A:ASP74 4.2 23.6 1.0 CG2 A:THR52 4.2 33.1 1.0 O2A A:GSP538 4.2 30.0 1.0 CG2 A:THR34 4.3 17.6 1.0 CG A:ASP74 4.4 31.1 1.0 O1B A:GSP538 4.4 18.2 1.0 O3A A:GSP538 4.4 23.3 1.0 O A:VAL50 4.5 28.8 1.0 O A:THR75 4.5 25.7 1.0 C A:PRO51 4.6 35.1 1.0 S1G A:GSP538 4.7 30.7 1.0 PA A:GSP538 4.7 22.2 1.0 O1A A:GSP538 4.9 17.4 1.0 CA A:PRO51 4.9 34.1 1.0 O A:HOH202 4.9 52.4 1.0 CB A:LYS33 4.9 19.6 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of EHRHO1 Bound to A Gtp Analog and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg550 b:26.6 occ:1.00 OG1 B:THR34 2.1 20.8 1.0 O B:HOH233 2.2 19.9 1.0 O2B B:GSP538 2.2 16.7 1.0 O2G B:GSP538 2.2 20.0 1.0 OG1 B:THR52 2.3 23.1 1.0 O B:HOH232 2.4 22.1 1.0 CB B:THR34 3.1 16.0 1.0 CB B:THR52 3.1 21.9 1.0 PG B:GSP538 3.3 19.7 1.0 PB B:GSP538 3.3 21.5 1.0 O3B B:GSP538 3.5 19.6 1.0 N B:THR52 3.8 20.8 1.0 O3G B:GSP538 3.8 25.7 1.0 N B:THR34 3.9 17.0 1.0 OD2 B:ASP74 3.9 26.0 1.0 CA B:THR52 4.0 25.1 1.0 O2A B:GSP538 4.1 23.3 1.0 CA B:THR34 4.1 20.4 1.0 O B:HOH208 4.1 41.4 1.0 OD1 B:ASP74 4.2 28.2 1.0 CG2 B:THR34 4.2 17.7 1.0 CG2 B:THR52 4.3 33.1 1.0 O1B B:GSP538 4.3 23.4 1.0 O3A B:GSP538 4.4 23.4 1.0 CG B:ASP74 4.4 30.1 1.0 O B:VAL50 4.4 30.1 1.0 O B:THR75 4.6 25.5 1.0 PA B:GSP538 4.6 23.0 1.0 C B:PRO51 4.7 34.0 1.0 S1G B:GSP538 4.8 27.8 1.0 O1A B:GSP538 4.8 20.2 1.0 CA B:PRO51 5.0 34.9 1.0

D.E.Bosch, E.S.Wittchen, C.Qiu, K.Burridge, D.P.Siderovski. Unique Structural and Nucleotide Exchange Features of the RHO1 Gtpase of Entamoeba Histolytica. J.Biol.Chem. V. 286 39236 2011.
ISSN: ISSN 0021-9258
PubMed: 21930699
DOI: 10.1074/JBC.M111.253898