Magnesium in PDB 7oby: Crystal Structure of 14-3-3 Sigma in Complex with SSBP4 Phosphopeptide and Stabilizer Fusicoccin-A

The structure of Crystal Structure of 14-3-3 Sigma in Complex with SSBP4 Phosphopeptide and Stabilizer Fusicoccin-A, PDB code: 7oby 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)	29.79 / 2.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	83.514, 111.199, 62.59, 90, 90, 90
R / Rfree (%)	16.8 / 22

The structure of Crystal Structure of 14-3-3 Sigma in Complex with SSBP4 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 SSBP4 Phosphopeptide and Stabilizer Fusicoccin-A (pdb code 7oby). 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 SSBP4 Phosphopeptide and Stabilizer Fusicoccin-A, PDB code: 7oby:
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 SSBP4 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 SSBP4 Phosphopeptide and Stabilizer Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:11.3 occ:0.50 O A:HOH487 2.3 19.2 1.0 OE1 A:GLU2 2.4 12.2 1.0 O A:HOH420 2.6 8.5 1.0 CD A:GLU2 3.4 15.3 1.0 OE2 A:GLU2 3.7 11.4 1.0 HA A:GLU2 4.1 9.0 1.0 H A:ARG3 4.2 10.5 1.0 O A:HOH566 4.3 12.1 1.0 O A:HOH663 4.5 10.4 1.0 CG A:GLU2 4.7 10.0 1.0 HB3 A:GLU2 4.7 8.4 1.0 HG2 A:GLU2 4.9 12.0 1.0 CA A:GLU2 4.9 7.4 1.0 CB A:GLU2 5.0 7.0 1.0 O A:HOH482 5.0 15.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with SSBP4 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 SSBP4 Phosphopeptide and Stabilizer Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:20.5 occ:1.00 O A:HOH496 2.1 24.6 1.0 OE2 A:GLU89 2.1 10.6 1.0 O A:HOH463 2.2 35.2 1.0 O A:HOH580 2.3 25.7 1.0 OE2 A:GLU86 2.3 17.5 0.4 O A:HOH551 2.3 30.0 1.0 OE1 A:GLU86 2.4 16.0 0.4 CD A:GLU86 2.7 14.3 0.4 CD A:GLU89 3.2 11.1 1.0 HG2 A:GLU86 3.6 15.4 0.6 HG2 A:GLU89 3.7 11.7 1.0 HH12 A:ARG85 3.8 12.5 1.0 CG A:GLU89 4.0 9.7 1.0 HE22 A:GLN93 4.1 17.4 1.0 HH11 A:ARG85 4.1 12.5 1.0 OE1 A:GLU89 4.1 10.4 1.0 HB3 A:GLU89 4.2 12.8 1.0 O A:HOH537 4.2 20.6 1.0 CG A:GLU86 4.2 13.2 0.4 NH1 A:ARG85 4.3 10.3 1.0 O A:HOH456 4.3 26.6 1.0 HA A:GLU86 4.3 10.8 0.6 HA A:GLU86 4.4 10.9 0.4 O A:HOH500 4.4 26.2 1.0 OE1 A:GLN93 4.5 12.2 1.0 HG1 A:THR90 4.6 15.6 1.0 CG A:GLU86 4.6 12.8 0.6 HG2 A:GLU86 4.6 15.9 0.4 HB3 A:GLU86 4.6 13.1 0.6 CB A:GLU89 4.7 10.6 1.0 HG3 A:GLU86 4.7 15.9 0.4 NE2 A:GLN93 4.7 14.4 1.0 HB3 A:GLU86 4.7 13.2 0.4 O A:HOH425 4.8 30.5 1.0 HG3 A:GLU89 4.8 11.7 1.0 OG1 A:THR90 4.8 12.9 1.0 CB A:GLU86 4.9 10.9 0.4 CD A:GLN93 4.9 13.5 1.0 CB A:GLU86 5.0 10.9 0.6

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.