Calcium in PDB 7ob5: Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide

The structure of Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide, PDB code: 7ob5 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)	41.30 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.59, 112.188, 62.573, 90, 90, 90
R / Rfree (%)	13.8 / 17.1

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

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide (pdb code 7ob5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide, PDB code: 7ob5:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:14.7 occ:0.50 OE1 A:GLU2 2.5 11.9 1.0 O A:HOH463 2.6 11.2 1.0 O A:HOH687 2.6 31.6 1.0 O A:HOH699 2.7 37.6 1.0 CD A:GLU2 3.5 12.0 1.0 OE2 A:GLU2 3.8 10.7 1.0 HA A:GLU2 4.0 8.9 1.0 H A:ARG3 4.1 9.6 1.0 O A:HOH603 4.4 10.6 1.0 O A:HOH767 4.5 10.9 1.0 HB3 A:GLU2 4.6 8.7 1.0 CG A:GLU2 4.7 8.2 1.0 CA A:GLU2 4.8 7.4 1.0 CB A:GLU2 4.9 7.2 1.0 N A:ARG3 4.9 8.0 1.0 HG2 A:GLU2 4.9 9.8 1.0 O A:HOH508 5.0 19.6 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of 14-3-3 Sigma in Complex with LDB1 Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:14.7 occ:1.00 O A:GLU110 2.3 6.0 0.5 O A:HOH547 2.4 18.3 1.0 O A:GLU110 2.4 7.9 0.5 O A:HOH674 2.4 15.0 1.0 OE2 A:GLU35 2.5 14.6 1.0 OE1 A:GLU35 2.6 18.0 1.0 CD A:GLU35 2.9 19.1 1.0 H A:GLY112 3.4 15.7 1.0 C A:GLU110 3.5 9.4 0.5 C A:GLU110 3.6 9.6 0.5 HB3 A:GLU110 3.6 12.1 0.5 HA A:ALA111 3.9 9.7 1.0 HB3 A:GLU110 4.0 13.3 0.5 N A:GLY112 4.0 13.1 1.0 O A:HOH688 4.2 32.6 1.0 HA A:GLU110 4.3 9.4 0.5 HA A:GLU110 4.3 10.4 0.5 HA3 A:GLY112 4.3 20.8 1.0 CG A:GLU35 4.3 11.2 1.0 CA A:GLU110 4.4 8.7 0.5 CB A:GLU110 4.4 10.1 0.5 CA A:GLU110 4.4 7.9 0.5 N A:ALA111 4.5 7.3 1.0 O A:HOH549 4.5 17.4 1.0 HG2 A:GLU35 4.5 13.5 1.0 CA A:ALA111 4.5 8.0 1.0 OE1 A:GLU110 4.6 13.1 0.5 O A:HOH480 4.6 27.2 1.0 C A:ALA111 4.7 11.3 1.0 CB A:GLU110 4.7 11.1 0.5 O1 A:GOL305 4.7 33.3 1.0 HG3 A:GLU35 4.7 13.5 1.0 O A:HOH570 4.8 17.3 1.0 CA A:GLY112 4.8 17.4 1.0 HB2 A:GLU110 4.9 12.1 0.5

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.