Magnesium in PDB 8av8: Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300)

The structure of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300), PDB code: 8av8 was solved by E.J.Visser, E.M.F.Vandenboorn, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.28 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.222, 111.865, 59.818, 90, 90, 90
R / Rfree (%)	21 / 24.8

The binding sites of Magnesium atom in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300) (pdb code 8av8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300), PDB code: 8av8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:39.7 occ:1.00 OE2 A:GLU189 2.4 28.3 1.0 CD A:GLU189 3.5 27.5 1.0 O A:HOH469 3.6 46.1 1.0 O A:HOH435 3.7 28.8 1.0 OE1 A:GLU189 3.9 27.1 1.0 O A:HOH484 4.4 47.4 1.0 CG A:GLU189 4.8 25.2 1.0

Magnesium binding site 2 out of 2 in the Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Small Molecular Stabilizer For Eralpha and 14-3-3 (1075300) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:49.1 occ:1.00 OE2 A:GLU89 2.2 31.9 1.0 CD A:GLU89 3.4 30.6 1.0 CG A:GLU89 4.2 33.0 1.0 OE1 A:GLU89 4.3 24.7 1.0 NE2 A:GLN93 4.4 34.7 1.0 OE1 A:GLN93 4.5 36.0 1.0 CB A:GLU89 4.7 31.5 1.0 CG A:GLU86 4.8 36.9 1.0 NH1 A:ARG85 4.8 35.5 1.0 CD A:GLN93 4.9 34.3 1.0

M.Konstantinidou, E.J.Visser, E.M.F.Vandenboorn, S.Chen, P.Jaishankar, M.J.A.M.Overmans, S.Dutta, R.Neitz, A.Renslo, C.Ottmann, L.Brunsveld, M.R.Arkin. Structure-Based Optimization of A Non-Selective Disulfide Fragment Toward Covalent, Small Molecule Stabilizers of the 14-3-3 Sigma/Eralpha Protein-Protein Interaction To Be Published.