Magnesium in PDB 1ow3: Crystal Structure of Rhoa.Gdp.MGF3-in Complex with Rhogap

The structure of Crystal Structure of Rhoa.Gdp.MGF3-in Complex with Rhogap, PDB code: 1ow3 was solved by D.L.Graham, P.N.Lowe, G.W.Grime, M.Marsh, K.Rittinger, S.J.Smerdon, S.J.Gamblin, J.F.Eccleston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.490, 71.400, 91.150, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 21.9

The structure of Crystal Structure of Rhoa.Gdp.MGF3-in Complex with Rhogap also contains other interesting chemical elements:

Fluorine

(F)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Rhoa.Gdp.MGF3-in Complex with Rhogap (pdb code 1ow3). 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 Rhoa.Gdp.MGF3-in Complex with Rhogap, PDB code: 1ow3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Rhoa.Gdp.MGF3-in Complex with Rhogap


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 Rhoa.Gdp.MGF3-in Complex with Rhogap within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg681 b:14.5 occ:1.00 F2 B:MGF682 1.9 14.8 1.0 O2B B:GDP680 2.0 12.7 1.0 O B:HOH685 2.1 16.2 1.0 OG1 B:THR19 2.1 13.7 1.0 OG1 B:THR37 2.2 14.7 1.0 O B:HOH684 2.2 15.3 1.0 CB B:THR37 3.1 16.2 1.0 CB B:THR19 3.2 14.6 1.0 PB B:GDP680 3.2 12.6 1.0 O3B B:GDP680 3.4 13.5 1.0 MG B:MGF682 3.5 13.3 1.0 N B:THR37 3.7 16.7 1.0 N B:THR19 3.9 14.1 1.0 OD2 B:ASP59 4.0 15.4 1.0 CA B:THR37 4.1 16.1 1.0 CA B:THR19 4.1 14.6 1.0 O2A B:GDP680 4.1 15.8 1.0 OD1 B:ASP59 4.2 15.2 1.0 CG2 B:THR37 4.2 15.2 1.0 CG2 B:THR19 4.2 14.2 1.0 O1B B:GDP680 4.2 13.4 1.0 O B:HOH694 4.3 18.8 1.0 O3A B:GDP680 4.3 12.6 1.0 NH2 A:ARG85 4.5 15.1 1.0 CG B:ASP59 4.5 15.8 1.0 O B:THR60 4.5 13.7 1.0 PA B:GDP680 4.5 15.4 1.0 O B:HOH683 4.6 13.7 1.0 F1 B:MGF682 4.6 12.6 1.0 O1A B:GDP680 4.7 14.1 1.0 O B:VAL35 4.7 21.4 1.0 C B:PRO36 4.8 17.7 1.0 CB B:LYS18 4.9 13.8 1.0 O B:HOH752 5.0 32.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Rhoa.Gdp.MGF3-in Complex with Rhogap


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 Rhoa.Gdp.MGF3-in Complex with Rhogap within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg682 b:13.3 occ:1.00 MG B:MGF682 0.0 13.3 1.0 F2 B:MGF682 1.8 14.8 1.0 F1 B:MGF682 1.9 12.6 1.0 F3 B:MGF682 1.9 14.7 1.0 O3B B:GDP680 2.1 13.5 1.0 O B:HOH683 2.1 13.7 1.0 PB B:GDP680 3.4 12.6 1.0 MG B:MG681 3.5 14.5 1.0 O2B B:GDP680 3.7 12.7 1.0 NH2 A:ARG85 3.8 15.1 1.0 N B:THR37 3.9 16.7 1.0 NE2 B:GLN63 3.9 12.1 1.0 N B:ALA15 4.0 12.9 1.0 NZ B:LYS18 4.0 13.0 1.0 O B:HOH685 4.0 16.2 1.0 O1B B:GDP680 4.1 13.4 1.0 CA B:PRO36 4.2 18.5 1.0 OE1 B:GLN63 4.2 12.3 1.0 NE A:ARG85 4.2 12.8 1.0 N B:GLY62 4.2 13.5 1.0 O B:HOH684 4.3 15.3 1.0 CA B:GLY14 4.4 13.0 1.0 CB B:PRO36 4.4 18.7 1.0 CZ A:ARG85 4.4 15.4 1.0 CD B:GLN63 4.5 13.1 1.0 C B:PRO36 4.5 17.7 1.0 O3A B:GDP680 4.6 12.6 1.0 CE B:LYS18 4.6 12.2 1.0 O B:THR37 4.6 16.9 1.0 CB B:THR37 4.6 16.2 1.0 CA B:ALA61 4.6 14.1 1.0 OG1 B:THR37 4.7 14.7 1.0 O B:THR60 4.7 13.7 1.0 C B:GLY14 4.7 13.1 1.0 CA B:THR37 4.8 16.1 1.0 CA B:ALA15 4.8 13.5 1.0 C B:ALA61 5.0 14.0 1.0

D.L.Graham, P.N.Lowe, G.W.Grime, M.Marsh, K.Rittinger, S.J.Smerdon, S.J.Gamblin, J.F.Eccleston. Mgf(3)(-) As A Transition State Analog of Phosphoryl Transfer Chem.Biol. V. 9 375 2002.
ISSN: ISSN 1074-5521
PubMed: 11927263
DOI: 10.1016/S1074-5521(02)00112-6