Magnesium in PDB 8cnj: Hras(1-166) in Complex with Gdp and BEF3-

All present enzymatic activity of Hras(1-166) in Complex with Gdp and BEF3-:
3.6.5.2;

The structure of Hras(1-166) in Complex with Gdp and BEF3-, PDB code: 8cnj was solved by P.Baumann, Y.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.59 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.433, 51.957, 136.149, 90, 90, 90
R / Rfree (%)	14.3 / 17.9

The structure of Hras(1-166) in Complex with Gdp and BEF3- also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Hras(1-166) in Complex with Gdp and BEF3- (pdb code 8cnj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Hras(1-166) in Complex with Gdp and BEF3-, PDB code: 8cnj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:11.2 occ:1.00 F3 A:BEF202 1.9 11.5 1.0 OG A:SER17 2.0 10.5 1.0 O1B A:GDP201 2.0 10.4 1.0 OG1 A:THR35 2.1 12.5 1.0 O A:HOH315 2.1 11.5 1.0 O A:HOH342 2.1 11.6 1.0 CB A:THR35 3.1 12.3 1.0 CB A:SER17 3.1 10.3 1.0 BE A:BEF202 3.2 11.6 1.0 PB A:GDP201 3.2 10.4 1.0 O3B A:GDP201 3.5 9.8 1.0 N A:THR35 3.8 11.8 1.0 N A:SER17 3.9 10.2 1.0 CA A:THR35 4.0 11.9 1.0 CA A:SER17 4.0 10.3 1.0 OD2 A:ASP57 4.1 11.8 1.0 OD1 A:ASP57 4.1 11.3 1.0 F1 A:BEF202 4.1 12.1 1.0 O1A A:GDP201 4.1 11.1 1.0 CG2 A:THR35 4.1 12.0 1.0 O3A A:GDP201 4.2 10.1 1.0 O B:HOH324 4.3 30.4 1.0 F2 A:BEF202 4.3 11.6 1.0 O2B A:GDP201 4.3 10.5 1.0 O A:THR58 4.4 11.4 1.0 O A:ASP33 4.4 11.7 1.0 CG A:ASP57 4.4 11.0 1.0 PA A:GDP201 4.5 10.6 1.0 O2A A:GDP201 4.6 10.6 1.0 CB A:LYS16 4.8 10.6 1.0 C A:PRO34 4.9 11.7 1.0 CE A:LYS16 4.9 11.9 1.0 C A:LYS16 4.9 9.6 1.0 NZ A:LYS16 4.9 11.7 1.0

Magnesium binding site 2 out of 2 in the Hras(1-166) in Complex with Gdp and BEF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Hras(1-166) in Complex with Gdp and BEF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg204 b:13.0 occ:1.00 F2 B:BEF202 1.9 14.1 1.0 O3B B:GDP201 2.0 12.8 1.0 OG B:SER17 2.0 12.7 1.0 OG1 B:THR35 2.0 13.4 1.0 O B:HOH313 2.1 13.6 1.0 O B:HOH325 2.1 13.9 1.0 CB B:THR35 3.1 14.2 1.0 CB B:SER17 3.1 12.5 1.0 BE B:BEF202 3.2 13.7 1.0 PB B:GDP201 3.2 13.1 1.0 O2B B:GDP201 3.4 12.4 1.0 N B:THR35 3.8 14.5 1.0 N B:SER17 3.8 11.8 1.0 CA B:THR35 4.0 13.8 1.0 CA B:SER17 4.0 12.3 1.0 OD2 B:ASP57 4.0 13.9 1.0 O2A B:GDP201 4.1 14.0 1.0 OD1 B:ASP57 4.1 13.2 1.0 O B:HOH320 4.1 20.6 1.0 CG2 B:THR35 4.1 14.1 1.0 F3 B:BEF202 4.1 14.3 1.0 O3A B:GDP201 4.2 12.4 1.0 O1B B:GDP201 4.3 13.7 1.0 F1 B:BEF202 4.3 14.1 1.0 O B:THR58 4.4 14.1 1.0 CG B:ASP57 4.4 12.3 1.0 PA B:GDP201 4.5 13.3 1.0 O B:ASP33 4.5 15.0 1.0 O1A B:GDP201 4.6 12.3 1.0 CB B:LYS16 4.7 12.0 1.0 C B:PRO34 4.8 14.8 1.0 C B:LYS16 4.9 11.4 1.0 CE B:LYS16 4.9 14.0 1.0 NZ B:LYS16 5.0 13.8 1.0

P.Baumann, Y.Jin. Hras(1-166) in Complex with Gdp and BEF3- To Be Published.