Magnesium in PDB 3eg5: Crystal Structure of MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp

The structure of Crystal Structure of MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp, PDB code: 3eg5 was solved by M.Lammers, S.Meyer, D.Kuehlmann, A.Wittinghofer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.47 / 2.70
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	71.269, 71.269, 244.964, 90.00, 90.00, 120.00
R / Rfree (%)	20.6 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp (pdb code 3eg5). 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 MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp, PDB code: 3eg5:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp


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 MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg180 b:45.6 occ:1.00 OG1 A:THR17 1.9 45.1 1.0 O2B A:GNP179 2.0 38.4 1.0 O A:HOH181 2.0 27.9 1.0 OG1 A:THR35 2.0 51.8 1.0 O A:HOH194 2.2 23.7 1.0 O2G A:GNP179 2.2 38.6 1.0 CB A:THR17 3.1 45.3 1.0 PB A:GNP179 3.3 39.2 1.0 CB A:THR35 3.3 52.2 1.0 PG A:GNP179 3.3 37.6 1.0 CG2 A:THR35 3.6 52.1 1.0 N3B A:GNP179 3.6 38.5 1.0 N A:THR17 3.7 45.2 1.0 O3G A:GNP179 3.8 36.3 1.0 OD2 A:ASP57 3.8 48.4 1.0 CA A:THR17 3.9 45.5 1.0 OD1 A:ASP57 3.9 48.0 1.0 N A:THR35 4.0 52.5 1.0 O1B A:GNP179 4.2 38.3 1.0 CG A:ASP57 4.2 47.8 1.0 CG2 A:THR17 4.2 45.3 1.0 CA A:THR35 4.3 52.2 1.0 O3A A:GNP179 4.4 41.4 1.0 O2A A:GNP179 4.4 40.5 1.0 O A:THR58 4.4 46.5 1.0 O1A A:GNP179 4.6 43.1 1.0 PA A:GNP179 4.6 43.0 1.0 CE A:LYS16 4.7 42.8 1.0 O1G A:GNP179 4.7 38.1 1.0 O A:VAL33 4.7 54.6 1.0 CB A:LYS16 4.7 44.8 1.0 C A:LYS16 4.8 45.1 1.0 NZ A:LYS16 5.0 44.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp


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 MDIA1-Tsh Gbd-FH3 in Complex with CDC42-Gmppnp within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg180 b:41.5 occ:1.00 OG1 C:THR17 1.9 45.1 1.0 OG1 C:THR35 2.0 51.8 1.0 O2B C:GNP179 2.0 37.6 1.0 O C:HOH181 2.0 30.3 1.0 O C:HOH185 2.2 20.3 1.0 O2G C:GNP179 2.2 39.0 1.0 CB C:THR17 3.1 45.3 1.0 CB C:THR35 3.3 52.1 1.0 PG C:GNP179 3.3 38.1 1.0 PB C:GNP179 3.3 38.0 1.0 CG2 C:THR35 3.6 52.1 1.0 N3B C:GNP179 3.6 38.4 1.0 OD2 C:ASP57 3.7 48.5 1.0 N C:THR17 3.7 45.3 1.0 O3G C:GNP179 3.8 36.3 1.0 OD1 C:ASP57 3.9 48.0 1.0 CA C:THR17 3.9 45.5 1.0 N C:THR35 4.0 52.4 1.0 CG C:ASP57 4.1 47.9 1.0 CG2 C:THR17 4.2 45.3 1.0 CA C:THR35 4.2 52.2 1.0 O1B C:GNP179 4.3 37.1 1.0 O2A C:GNP179 4.3 41.1 1.0 O C:THR58 4.3 46.5 1.0 O3A C:GNP179 4.4 41.3 1.0 O1A C:GNP179 4.6 43.3 1.0 PA C:GNP179 4.6 43.2 1.0 O1G C:GNP179 4.7 38.2 1.0 CE C:LYS16 4.7 42.9 1.0 CB C:LYS16 4.7 44.8 1.0 O C:VAL33 4.7 54.6 1.0 C C:LYS16 4.8 45.1 1.0

M.Lammers, S.Meyer, D.Kuhlmann, A.Wittinghofer. Specificity of Interactions Between Mdia Isoforms and Rho Proteins J.Biol.Chem. V. 283 35236 2008.
ISSN: ISSN 0021-9258
PubMed: 18829452
DOI: 10.1074/JBC.M805634200