Magnesium in PDB 3t1r: Mglb with Tetrameric Arrangement

The structure of Mglb with Tetrameric Arrangement, PDB code: 3t1r was solved by M.Miertzschke, I.R.Vetter, C.Koerner, A.Wittinghofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.33 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	99.200, 118.000, 111.700, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 23.6

The binding sites of Magnesium atom in the Mglb with Tetrameric Arrangement (pdb code 3t1r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Mglb with Tetrameric Arrangement, PDB code: 3t1r:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Mglb with Tetrameric Arrangement


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Mglb with Tetrameric Arrangement within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg164 b:21.5 occ:1.00 O A:HOH278 1.9 20.8 1.0 O A:HOH201 2.0 18.7 1.0 O A:HOH275 2.0 20.6 1.0 O A:HOH276 2.1 18.6 1.0 OE2 A:GLU84 2.1 19.2 1.0 OD1 A:ASP97 2.2 16.7 1.0 CG A:ASP97 3.1 18.5 1.0 CD A:GLU84 3.2 25.0 1.0 OD2 A:ASP97 3.4 19.3 1.0 CG A:GLU84 3.8 22.4 1.0 O A:GLN83 3.9 17.2 0.5 O A:GLN83 4.1 17.2 0.5 N A:GLU98 4.1 17.1 1.0 O A:HOH174 4.1 24.1 1.0 NZ A:LYS123 4.2 45.0 1.0 O A:GLU98 4.3 19.6 1.0 OE1 A:GLU84 4.3 23.9 1.0 NE2 A:GLN83 4.4 27.6 0.5 O A:HOH304 4.4 49.4 1.0 CB A:GLN83 4.5 17.8 0.5 CB A:ASP97 4.5 15.8 1.0 CB A:GLN83 4.5 17.7 0.5 C A:GLN83 4.6 17.2 0.5 C A:GLN83 4.6 17.2 0.5 CB A:GLU98 4.6 19.5 1.0 O A:HOH220 4.7 30.1 1.0 OE1 A:GLU98 4.8 37.2 1.0 CA A:GLU98 4.8 18.5 1.0 CA A:ASP97 4.8 15.0 1.0 C A:ASP97 4.9 17.0 1.0 CA A:GLN83 5.0 17.5 0.5 CA A:GLN83 5.0 17.4 0.5

Magnesium binding site 2 out of 5 in the Mglb with Tetrameric Arrangement


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Mglb with Tetrameric Arrangement within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg164 b:29.3 occ:1.00 O B:HOH280 1.9 25.7 1.0 O B:HOH178 2.0 26.6 1.0 O B:HOH281 2.1 35.3 1.0 O B:HOH282 2.1 22.9 1.0 OD1 B:ASP97 2.2 21.4 1.0 OE1 B:GLU84 2.2 25.7 1.0 CG B:ASP97 3.2 21.6 1.0 CD B:GLU84 3.3 33.9 1.0 OD2 B:ASP97 3.4 23.4 1.0 CG B:GLU84 3.8 27.9 1.0 O B:GLN83 3.8 19.8 1.0 N B:GLU98 4.0 22.1 1.0 O B:GLU98 4.1 23.4 1.0 CB B:GLN83 4.4 21.5 0.5 OE2 B:GLU84 4.5 37.2 1.0 NZ B:LYS123 4.5 46.6 1.0 C B:GLN83 4.5 20.1 1.0 CB B:ASP97 4.5 18.0 1.0 CB B:GLN83 4.5 20.9 0.5 CB B:GLU98 4.6 25.1 1.0 O B:HOH279 4.6 30.0 1.0 OE1 B:GLU98 4.6 39.4 1.0 O B:HOH203 4.7 40.2 1.0 CA B:GLU98 4.7 23.5 1.0 OE1 B:GLN83 4.7 27.4 0.5 CA B:ASP97 4.8 19.4 1.0 C B:ASP97 4.8 20.3 1.0 C B:GLU98 4.9 24.1 1.0 CA B:GLN83 4.9 21.3 0.5 CA B:GLN83 5.0 21.0 0.5

Magnesium binding site 3 out of 5 in the Mglb with Tetrameric Arrangement


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Mglb with Tetrameric Arrangement within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg164 b:29.0 occ:1.00 O C:HOH283 2.0 24.3 1.0 OE2 C:GLU84 2.0 28.0 1.0 O C:HOH284 2.1 29.1 1.0 OD1 C:ASP97 2.1 24.4 1.0 O C:HOH285 2.2 27.2 1.0 O C:HOH200 2.2 32.2 1.0 CG C:ASP97 3.1 24.5 1.0 CD C:GLU84 3.2 34.1 1.0 OD2 C:ASP97 3.5 27.6 1.0 CG C:GLU84 3.9 30.4 1.0 O C:GLN83 3.9 23.7 1.0 N C:GLU98 4.0 23.6 1.0 O C:GLU98 4.1 25.2 1.0 O C:HOH166 4.1 31.9 1.0 OE1 C:GLU84 4.2 37.6 1.0 CG C:GLN83 4.3 36.8 1.0 CB C:GLU98 4.5 25.8 1.0 CB C:ASP97 4.5 20.6 1.0 CB C:GLN83 4.6 22.9 1.0 C C:GLN83 4.6 22.3 1.0 CA C:GLU98 4.7 24.9 1.0 O C:HOH182 4.7 41.8 1.0 OE1 C:GLU98 4.8 43.1 1.0 C C:ASP97 4.8 22.0 1.0 CA C:ASP97 4.8 20.9 1.0 C C:GLU98 4.9 26.0 1.0

Magnesium binding site 4 out of 5 in the Mglb with Tetrameric Arrangement


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Mglb with Tetrameric Arrangement within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1305 b:53.8 occ:0.50 NH1 D:ARG124 3.6 50.3 1.0 CD D:ARG124 4.2 47.0 1.0 CD2 D:HIS121 4.4 38.2 1.0 CZ D:ARG124 4.7 52.5 1.0 NE2 D:HIS121 4.8 40.9 1.0 NE D:ARG124 4.9 51.7 1.0 OE1 D:GLU26 4.9 53.5 1.0

Magnesium binding site 5 out of 5 in the Mglb with Tetrameric Arrangement


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Mglb with Tetrameric Arrangement within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg164 b:47.5 occ:1.00 O D:HOH288 2.1 44.0 1.0 O D:HOH287 2.1 32.8 1.0 O D:HOH185 2.1 33.4 1.0 OD1 D:ASP97 2.2 27.6 1.0 O D:HOH289 2.2 36.5 1.0 OE1 D:GLU84 2.2 19.6 0.5 CG D:ASP97 3.2 28.2 1.0 CD D:GLU84 3.3 25.6 0.5 OD2 D:ASP97 3.4 34.0 1.0 CG D:GLU84 3.8 25.9 0.5 O D:GLN83 4.1 27.4 1.0 N D:GLU98 4.2 24.7 1.0 O D:GLU98 4.2 28.4 1.0 NZ D:LYS123 4.3 50.9 1.0 OE2 D:GLU84 4.4 25.4 0.5 CD D:LYS123 4.5 49.4 1.0 CB D:ASP97 4.5 23.4 1.0 CB D:GLU98 4.6 27.1 1.0 CG D:GLN83 4.6 31.0 0.5 CD D:GLN83 4.7 33.7 0.5 C D:GLN83 4.7 26.8 1.0 CE D:LYS123 4.7 52.0 1.0 CB D:GLN83 4.7 27.3 0.5 CB D:GLN83 4.7 27.4 0.5 CA D:GLU98 4.8 28.1 1.0 OE1 D:GLN83 4.9 37.2 0.5 CA D:ASP97 4.9 22.9 1.0 C D:ASP97 4.9 24.2 1.0 CG D:GLN83 4.9 29.9 0.5 C D:GLU98 4.9 28.3 1.0

M.Miertzschke, C.Koerner, I.R.Vetter, D.Keilberg, E.Hot, S.Leonardy, L.Sogaard-Andersen, A.Wittinghofer. Structural Analysis of the Ras-Like G Protein Mgla and Its Cognate Gap Mglb and Implications For Bacterial Polarity. Embo J. V. 30 4185 2011.
ISSN: ISSN 0261-4189
PubMed: 21847100
DOI: 10.1038/EMBOJ.2011.291