Magnesium in PDB 7qsc: Gtpase in Complex with Gdp.MGF3-

All present enzymatic activity of Gtpase in Complex with Gdp.MGF3-:
3.6.5.2;

The structure of Gtpase in Complex with Gdp.MGF3-, PDB code: 7qsc 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)	55.64 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.765, 66.489, 76.958, 90, 95.27, 90
R / Rfree (%)	24.4 / 29.5

The structure of Gtpase in Complex with Gdp.MGF3- also contains other interesting chemical elements:

Fluorine

(F)

12 atoms

The binding sites of Magnesium atom in the Gtpase in Complex with Gdp.MGF3- (pdb code 7qsc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Gtpase in Complex with Gdp.MGF3-, PDB code: 7qsc:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:16.8 occ:1.00 MG B:MGF202 0.0 16.8 1.0 F1 B:MGF202 1.8 15.9 1.0 F3 B:MGF202 1.8 15.8 1.0 F2 B:MGF202 1.9 14.4 1.0 O B:HOH333 2.0 18.2 1.0 O3B B:GDP201 2.2 21.0 1.0 PB B:GDP201 3.4 20.6 1.0 MG B:MG203 3.5 17.9 1.0 F5 B:FY334 3.6 26.1 1.0 N B:THR37 3.8 18.4 1.0 O2B B:GDP201 3.8 18.9 1.0 N B:ALA15 3.9 21.9 1.0 OE1 B:GLN63 3.9 19.9 1.0 NE2 B:GLN63 4.0 21.8 1.0 CA B:PRO36 4.0 19.7 1.0 O B:HOH310 4.1 12.6 1.0 OH B:FY334 4.2 27.1 1.0 NZ B:LYS18 4.2 22.8 1.0 CA B:GLY14 4.2 23.0 1.0 N B:GLY62 4.2 20.1 1.0 O B:HOH307 4.3 18.1 1.0 O1B B:GDP201 4.4 23.4 1.0 CB B:PRO36 4.4 19.6 1.0 CD B:GLN63 4.4 20.8 1.0 C B:PRO36 4.5 19.0 1.0 CE B:LYS18 4.5 22.5 1.0 O B:THR37 4.6 18.6 1.0 O3A B:GDP201 4.6 20.5 1.0 C B:GLY14 4.6 22.6 1.0 OG1 B:THR37 4.7 18.1 1.0 CE2 B:FY334 4.7 27.5 1.0 CB B:THR37 4.7 18.4 1.0 CA B:THR37 4.8 18.4 1.0 CA B:ALA15 4.8 22.1 1.0 O B:THR60 4.8 17.6 1.0 CA B:ALA61 4.9 19.2 1.0 CZ B:FY334 4.9 28.3 1.0

Magnesium binding site 2 out of 4 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg203 b:17.9 occ:1.00 F1 B:MGF202 1.9 15.9 1.0 O B:HOH307 2.1 18.1 1.0 OG1 B:THR19 2.1 23.1 1.0 OG1 B:THR37 2.1 18.1 1.0 O B:HOH310 2.2 12.6 1.0 O2B B:GDP201 2.2 18.9 1.0 CB B:THR37 3.1 18.4 1.0 CB B:THR19 3.2 24.1 1.0 PB B:GDP201 3.4 20.6 1.0 MG B:MGF202 3.5 16.8 1.0 O3B B:GDP201 3.6 21.0 1.0 N B:THR37 3.6 18.4 1.0 O2A B:GDP201 3.9 22.9 1.0 CA B:THR37 4.0 18.4 1.0 N B:THR19 4.0 23.2 1.0 OD2 B:ASP59 4.0 20.7 1.0 OD1 B:ASP59 4.1 18.2 1.0 CA B:THR19 4.1 23.2 1.0 F5 B:FY334 4.2 26.1 1.0 CG2 B:THR37 4.2 18.6 1.0 O B:HOH315 4.2 17.0 1.0 CG2 B:THR19 4.2 24.3 1.0 CG B:ASP59 4.4 19.2 1.0 O B:HOH333 4.4 18.2 1.0 O B:VAL35 4.4 19.9 1.0 O3A B:GDP201 4.5 20.5 1.0 O1B B:GDP201 4.5 23.4 1.0 F2 B:MGF202 4.5 14.4 1.0 PA B:GDP201 4.6 20.7 1.0 O B:THR60 4.7 17.6 1.0 C B:PRO36 4.7 19.0 1.0 O1A B:GDP201 4.8 20.0 1.0 F3 B:MGF202 4.9 15.8 1.0 CA B:PRO36 5.0 19.7 1.0 O B:HOH328 5.0 22.9 1.0 CB B:LYS18 5.0 23.4 1.0

Magnesium binding site 3 out of 4 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg202 b:18.0 occ:1.00 MG D:MGF202 0.0 18.0 1.0 F1 D:MGF202 1.8 17.9 1.0 F3 D:MGF202 1.8 15.9 1.0 F2 D:MGF202 1.9 15.5 1.0 O3B D:GDP201 2.1 22.1 1.0 O D:HOH334 2.1 23.7 1.0 PB D:GDP201 3.4 22.9 1.0 MG D:MG203 3.4 18.9 1.0 F5 D:FY334 3.5 29.3 1.0 O1B D:GDP201 3.7 20.3 1.0 NE2 D:GLN63 3.8 21.8 1.0 N D:ALA15 3.9 23.2 1.0 N D:THR37 4.0 18.2 1.0 O D:HOH324 4.0 14.2 1.0 OE1 D:GLN63 4.0 20.8 1.0 OH D:FY334 4.0 28.4 1.0 CA D:PRO36 4.1 19.7 1.0 N D:GLY62 4.2 19.0 1.0 NZ D:LYS18 4.2 21.9 1.0 CA D:GLY14 4.2 22.4 1.0 CD D:GLN63 4.3 20.4 1.0 O D:HOH315 4.3 15.5 1.0 O2B D:GDP201 4.4 24.7 1.0 O3A D:GDP201 4.4 23.8 1.0 CB D:PRO36 4.4 19.5 1.0 C D:PRO36 4.6 18.7 1.0 O D:THR37 4.6 17.8 1.0 C D:GLY14 4.6 23.1 1.0 CE D:LYS18 4.6 21.2 1.0 CE2 D:FY334 4.6 29.9 1.0 CB D:THR37 4.7 17.0 1.0 CZ D:FY334 4.8 31.5 1.0 CA D:ALA15 4.8 23.0 1.0 OG1 D:THR37 4.8 16.7 1.0 O D:THR60 4.9 17.4 1.0 CA D:THR37 4.9 17.2 1.0 CA D:ALA61 4.9 18.8 1.0 CA D:GLY62 4.9 19.6 1.0

Magnesium binding site 4 out of 4 in the Gtpase in Complex with Gdp.MGF3-


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Gtpase in Complex with Gdp.MGF3- within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg203 b:18.9 occ:1.00 F1 D:MGF202 1.8 17.9 1.0 O D:HOH324 2.1 14.2 1.0 O D:HOH315 2.1 15.5 1.0 O1B D:GDP201 2.1 20.3 1.0 OG1 D:THR37 2.3 16.7 1.0 OG1 D:THR19 2.3 22.1 1.0 CB D:THR37 3.0 17.0 1.0 PB D:GDP201 3.3 22.9 1.0 CB D:THR19 3.3 21.1 1.0 MG D:MGF202 3.4 18.0 1.0 O3B D:GDP201 3.5 22.1 1.0 N D:THR37 3.7 18.2 1.0 CA D:THR37 4.0 17.2 1.0 OD2 D:ASP59 4.0 19.8 1.0 N D:THR19 4.0 21.7 1.0 O2A D:GDP201 4.0 25.6 1.0 F5 D:FY334 4.1 29.3 1.0 CG2 D:THR37 4.1 16.7 1.0 CA D:THR19 4.2 22.0 1.0 OD1 D:ASP59 4.2 20.1 1.0 O3A D:GDP201 4.3 23.8 1.0 O D:HOH312 4.4 20.8 1.0 CG2 D:THR19 4.4 21.4 1.0 O D:HOH334 4.4 23.7 1.0 O2B D:GDP201 4.4 24.7 1.0 CG D:ASP59 4.5 19.9 1.0 F2 D:MGF202 4.5 15.5 1.0 O D:THR60 4.5 17.4 1.0 PA D:GDP201 4.5 23.7 1.0 O D:VAL35 4.6 24.6 1.0 C D:PRO36 4.7 18.7 1.0 O1A D:GDP201 4.7 23.9 1.0 F3 D:MGF202 4.8 15.9 1.0 CB D:LYS18 4.9 20.4 1.0 CA D:PRO36 5.0 19.7 1.0

P.Baumann, Y.Jin. Gtpase in Complex with Gdp.MGF3- To Be Published.