Magnesium in PDB 7obd: Crystal Structure of 14-3-3 Sigma in Complex with Phosphorylated and Farnesylated RND3 Peptide and Stabilizer Fusicoccin-A

The structure of Crystal Structure of 14-3-3 Sigma in Complex with Phosphorylated and Farnesylated RND3 Peptide and Stabilizer Fusicoccin-A, PDB code: 7obd 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)	33.84 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.48, 111.339, 62.969, 90, 90, 90
R / Rfree (%)	16.6 / 21

The structure of Crystal Structure of 14-3-3 Sigma in Complex with Phosphorylated and Farnesylated RND3 Peptide 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 Phosphorylated and Farnesylated RND3 Peptide and Stabilizer Fusicoccin-A (pdb code 7obd). 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 Phosphorylated and Farnesylated RND3 Peptide and Stabilizer Fusicoccin-A, PDB code: 7obd:
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 Phosphorylated and Farnesylated RND3 Peptide 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 Phosphorylated and Farnesylated RND3 Peptide and Stabilizer Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:6.2 occ:0.50 O A:HOH595 2.3 26.6 1.0 OE1 A:GLU2 2.4 8.5 1.0 O A:HOH414 2.6 6.7 1.0 CD A:GLU2 3.4 10.3 1.0 OE2 A:GLU2 3.8 8.2 1.0 HA A:GLU2 4.0 6.2 1.0 H A:ARG3 4.2 6.1 1.0 O A:HOH571 4.3 8.6 1.0 O A:HOH689 4.4 12.5 1.0 CG A:GLU2 4.6 5.4 1.0 HB3 A:GLU2 4.6 6.6 1.0 CA A:GLU2 4.8 5.2 1.0 HG2 A:GLU2 4.9 6.5 1.0 CB A:GLU2 4.9 5.5 1.0 N A:ARG3 5.0 5.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with Phosphorylated and Farnesylated RND3 Peptide 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 Phosphorylated and Farnesylated RND3 Peptide and Stabilizer Fusicoccin-A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:11.4 occ:1.00 O A:HOH610 2.3 22.9 1.0 OE1 A:GLU35 2.4 15.8 1.0 O A:HOH619 2.4 21.1 1.0 O A:GLU110 2.4 15.8 1.0 OE2 A:GLU35 2.8 21.3 1.0 CD A:GLU35 2.9 20.0 1.0 H A:GLY112 3.6 19.1 1.0 C A:GLU110 3.6 15.8 1.0 HB3 A:GLU110 3.8 18.3 1.0 HA A:ALA111 4.1 15.4 1.0 N A:GLY112 4.2 15.9 1.0 CG A:GLU35 4.3 20.3 1.0 HA A:GLU110 4.3 16.9 1.0 HA3 A:GLY112 4.4 23.1 1.0 HG2 A:GLU35 4.4 24.4 1.0 CA A:GLU110 4.4 14.1 1.0 O A:HOH568 4.5 23.7 1.0 N A:ALA111 4.6 10.0 1.0 CB A:GLU110 4.6 15.3 1.0 CA A:ALA111 4.7 12.8 1.0 OE1 A:GLU110 4.7 29.7 1.0 HG3 A:GLU35 4.7 24.4 1.0 O A:HOH542 4.8 28.6 1.0 C A:ALA111 4.8 16.2 1.0 O A:HOH632 4.8 31.9 1.0 CA A:GLY112 4.9 19.2 1.0 O A:HOH611 4.9 33.3 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.