Magnesium in PDB 7ob8: Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A

The structure of Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A, PDB code: 7ob8 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)	41.65 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.643, 111.746, 62.484, 90, 90, 90
R / Rfree (%)	17.3 / 19.9

The structure of Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A (pdb code 7ob8). 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 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A, PDB code: 7ob8:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A


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 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:8.5 occ:0.50 O A:HOH602 2.4 21.5 1.0 OE1 A:GLU2 2.5 12.4 1.0 O A:HOH451 2.6 9.4 1.0 CD A:GLU2 3.4 11.3 1.0 OE2 A:GLU2 3.8 9.1 1.0 HA A:GLU2 4.0 8.5 1.0 H A:ARG3 4.2 7.4 1.0 O A:HOH593 4.3 11.6 1.0 O A:HOH710 4.5 12.8 1.0 CG A:GLU2 4.7 7.8 1.0 HB3 A:GLU2 4.7 7.5 1.0 CA A:GLU2 4.9 7.1 1.0 HG2 A:GLU2 4.9 9.4 1.0 N A:ARG3 5.0 6.1 1.0 O A:HOH465 5.0 19.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A


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 14-3-3 Sigma in Complex with LDB1 Phosphopeptide and Stabilizer Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:9.7 occ:1.00 O A:HOH603 2.3 19.8 1.0 O A:GLU110 2.3 15.9 1.0 OE2 A:GLU35 2.3 19.6 1.0 O A:HOH598 2.3 24.0 1.0 OE1 A:GLU35 2.8 23.5 1.0 CD A:GLU35 2.9 23.7 1.0 H A:GLY112 3.5 21.0 1.0 C A:GLU110 3.5 17.7 1.0 HB3 A:GLU110 3.8 21.1 1.0 HA A:ALA111 3.9 15.2 1.0 N A:GLY112 4.0 17.5 1.0 HA A:GLU110 4.3 20.1 1.0 CG A:GLU35 4.3 20.6 1.0 HA3 A:GLY112 4.3 21.4 1.0 CA A:GLU110 4.4 16.8 1.0 O A:HOH601 4.4 20.3 1.0 N A:ALA111 4.5 11.6 1.0 CA A:ALA111 4.5 12.6 1.0 CB A:GLU110 4.5 17.6 1.0 HG2 A:GLU35 4.5 24.7 1.0 O A:HOH656 4.6 30.4 1.0 C A:ALA111 4.7 15.3 1.0 HG3 A:GLU35 4.7 24.7 1.0 CA A:GLY112 4.8 17.8 1.0 OE1 A:GLU110 4.8 28.6 1.0 HB2 A:GLU110 4.9 21.1 1.0 O A:HOH591 5.0 30.1 1.0

B.Andlovic, G.Heilmann, S.Ninck, S.Andrei, F.Centorrino, Y.Higuchi, N.Kato, L.Brunsveld, S.Menninger, A.Choidas, A.Wolf, M.Kaiser, J.Eickhoff, C.Ottmann. Inf Alpha Primes Ovarian Cancer Cells For Fusicoccin-Induced Cell Death Via Stabilization of 14-3-3 Protein-Protein Interactions To Be Published.