Magnesium in PDB 5exa: Small-Molecule Stabilization of the 14-3-3/GAB2 Ppi Interface

The structure of Small-Molecule Stabilization of the 14-3-3/GAB2 Ppi Interface, PDB code: 5exa was solved by D.Bier, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.87 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.000, 83.090, 111.150, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.4

The binding sites of Magnesium atom in the Small-Molecule Stabilization of the 14-3-3/GAB2 Ppi Interface (pdb code 5exa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Small-Molecule Stabilization of the 14-3-3/GAB2 Ppi Interface, PDB code: 5exa:

Magnesium binding site 1 out of 1 in the Small-Molecule Stabilization of the 14-3-3/GAB2 Ppi Interface


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Small-Molecule Stabilization of the 14-3-3/GAB2 Ppi Interface within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:47.4 occ:1.00 OE2 B:GLU202 2.5 43.3 1.0 OG1 B:THR205 2.7 27.7 1.0 OG1 B:THR163 3.1 28.8 1.0 CD B:PRO162 3.2 31.4 1.0 N B:THR163 3.3 25.1 1.0 CB B:GLN161 3.4 31.8 1.0 N B:PRO162 3.4 30.0 1.0 CD B:GLU202 3.5 41.1 1.0 CB B:THR205 3.5 32.2 1.0 CB B:GLU202 3.5 32.3 1.0 CG B:GLN161 3.6 32.0 1.0 CG2 B:THR163 3.6 23.9 1.0 CG2 B:THR205 3.7 32.5 1.0 CB B:THR163 3.8 24.9 1.0 CD B:GLN161 3.8 35.8 1.0 CB B:PRO162 3.9 28.5 1.0 C B:GLN161 3.9 30.3 1.0 CG B:PRO162 3.9 29.9 1.0 CA B:PRO162 4.0 28.2 1.0 CA B:GLN161 4.1 30.8 1.0 O B:GLU202 4.1 31.3 1.0 CG B:GLU202 4.1 37.4 1.0 C B:PRO162 4.1 28.4 1.0 CA B:THR163 4.2 25.3 1.0 OE1 B:GLN161 4.2 32.6 1.0 NE2 B:GLN161 4.3 34.4 1.0 OE1 B:GLU202 4.5 41.5 1.0 O B:HOH420 4.5 32.5 1.0 O B:GLN161 4.7 29.2 1.0 CA B:GLU202 4.9 31.9 1.0 C B:GLU202 4.9 31.4 1.0 CA B:THR205 5.0 32.6 1.0

D.Bier, M.Bartel, K.Sies, S.Halbach, Y.Higuchi, Y.Haranosono, T.Brummer, N.Kato, C.Ottmann. Small-Molecule Stabilization of the 14-3-3/GAB2 Protein-Protein Interaction (Ppi) Interface. Chemmedchem V. 11 911 2016.
ISSN: ESSN 1860-7187
PubMed: 26644359
DOI: 10.1002/CMDC.201500484