Magnesium in PDB 8r0z: 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199

The structure of 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199, PDB code: 8r0z was solved by F.Centorrino, B.Andlovic, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.88 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.474, 111.984, 62.754, 90, 90, 90
R / Rfree (%)	16.9 / 17.6

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199 (pdb code 8r0z). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199, PDB code: 8r0z:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:21.9 occ:1.00 OE1 A:GLU75 2.4 45.1 1.0 O A:HOH556 2.5 42.2 1.0 CD A:GLU75 3.6 43.5 1.0 HB2 A:GLU75 3.8 57.0 1.0 CG A:GLU75 4.5 40.0 1.0 HG2 A:GLU75 4.5 48.0 1.0 HA A:GLU75 4.5 75.1 1.0 CB A:GLU75 4.5 47.4 1.0 OE2 A:GLU75 4.5 48.2 1.0 OG A:SER74 4.8 53.4 1.0 CA A:GLU75 4.9 62.5 1.0 HG A:SER74 5.0 64.1 0.6

Magnesium binding site 2 out of 3 in the 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:34.4 occ:1.00 O A:ASP215 2.9 13.6 1.0 HA A:ASP215 3.0 17.4 1.0 OE1 P:GLN95 3.1 42.7 1.0 O A:HOH431 3.1 30.7 1.0 HG12 A:ILE219 3.2 18.5 1.0 HB3 A:LEU218 3.3 17.9 1.0 HD22 A:LEU218 3.3 39.6 1.0 HB3 A:ASP215 3.3 20.9 1.0 HD11 A:ILE219 3.4 32.1 1.0 CA A:ASP215 3.6 14.5 1.0 C A:ASP215 3.6 13.1 1.0 HB3 A:PRO167 3.7 12.5 1.0 CB A:ASP215 3.9 17.4 1.0 HD13 A:LEU218 3.9 36.2 1.0 HE22 P:GLN95 3.9 59.6 1.0 CG1 A:ILE219 3.9 15.4 1.0 CD P:GLN95 4.0 48.0 1.0 CD1 A:ILE219 4.0 26.8 1.0 HG13 A:ILE219 4.0 18.5 1.0 CB A:LEU218 4.2 14.9 1.0 HD23 P:LEU94 4.2 28.6 1.0 CD2 A:LEU218 4.2 33.0 1.0 OD1 A:ASP215 4.2 24.3 1.0 HD13 A:ILE219 4.3 32.1 1.0 NE2 P:GLN95 4.3 49.6 1.0 CG A:ASP215 4.4 25.4 1.0 H A:ILE219 4.5 13.3 1.0 HB2 A:LEU218 4.5 17.9 1.0 CG A:LEU218 4.6 20.7 1.0 HA P:LEU94 4.6 35.6 1.0 CB A:PRO167 4.6 10.4 1.0 CD1 A:LEU218 4.7 30.2 1.0 HG3 A:PRO167 4.7 16.1 1.0 HD23 A:LEU218 4.7 39.6 1.0 HB2 A:ASP215 4.7 20.9 1.0 H P:GLN95 4.7 45.5 1.0 HD21 A:LEU218 4.8 39.6 1.0 N A:SER216 4.8 11.9 1.0 HG3 P:PRO91 4.8 27.0 1.0 HG2 P:PRO91 4.9 27.0 1.0 HD12 A:ILE219 4.9 32.1 1.0 N A:ASP215 4.9 12.7 1.0 HG2 A:PRO167 4.9 16.1 1.0 N A:ILE219 5.0 11.1 1.0 HD22 P:LEU94 5.0 28.6 1.0 HB2 A:PRO167 5.0 12.5 1.0 O A:LYS214 5.0 15.0 1.0

Magnesium binding site 3 out of 3 in the 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of 14-3-3 Sigma in Complex with Taz Peptide and Stabilizing Fragment TCF199 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:8.6 occ:1.00 O A:GLU110 2.3 12.2 1.0 O A:HOH632 2.4 16.3 1.0 O A:HOH525 2.4 16.3 1.0 OE1 A:GLU35 2.4 13.4 1.0 OE2 A:GLU35 2.6 15.7 1.0 CD A:GLU35 2.9 13.8 1.0 H A:GLY112 3.4 14.8 1.0 C A:GLU110 3.5 11.1 1.0 HB3 A:GLU110 3.7 14.2 1.0 HA A:ALA111 3.9 11.8 1.0 N A:GLY112 4.1 12.3 1.0 O A:HOH653 4.2 23.5 1.0 HA A:GLU110 4.3 11.3 1.0 CG A:GLU35 4.3 12.1 1.0 CA A:GLU110 4.4 9.4 1.0 HA3 A:GLY112 4.4 16.0 1.0 N A:ALA111 4.5 10.3 1.0 CB A:GLU110 4.5 11.9 1.0 O A:HOH484 4.5 18.1 1.0 CA A:ALA111 4.5 9.8 1.0 HG2 A:GLU35 4.5 14.6 1.0 OE2 A:GLU110 4.6 31.3 1.0 O A:HOH734 4.7 40.8 1.0 HG3 A:GLU35 4.7 14.6 1.0 C A:ALA111 4.7 10.5 1.0 O A:HOH438 4.8 23.4 1.0 O A:HOH533 4.8 18.9 1.0 CA A:GLY112 4.8 13.3 1.0 HB2 A:GLU110 5.0 14.2 1.0

B.Andlovic, D.Valenti, F.Centorrino, F.Picarazzi, S.Hristeva, M.Hiltmann, A.Wolf, F.X.Cantrelle, M.Mori, I.Landrieu, L.M.Levy, B.Klebl, D.Tzalis, T.Genski, J.Eickhoff, C.Ottmann. Fragment-Based Interrogation of the 14-3-3/Taz Protein-Protein Interaction. Biochemistry 2024.
ISSN: ISSN 0006-2960
PubMed: 39172504
DOI: 10.1021/ACS.BIOCHEM.4C00248