Calcium in PDB 6y8e: 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide

The structure of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide, PDB code: 6y8e was solved by A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.28 / 1.42
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.167, 112.045, 62.616, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.1

The structure of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Calcium atom in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide (pdb code 6y8e). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide, PDB code: 6y8e:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:69.0 occ:1.00 O A:HOH401 2.2 55.5 1.0 O A:HOH612 2.6 30.3 1.0 OE1 A:GLU35 2.9 44.5 1.0 O A:GLU110 3.3 24.1 1.0 OE1 A:GLU110 3.3 42.6 1.0 O A:HOH731 3.4 55.8 1.0 CD A:GLU35 3.9 41.6 1.0 OE2 A:GLU35 4.2 44.5 1.0 C A:GLU110 4.3 21.4 1.0 O A:HOH603 4.4 44.9 1.0 CD A:GLU110 4.6 43.0 1.0 CA A:GLU110 4.6 19.1 1.0 O A:HOH628 4.6 40.1 1.0 CB A:GLU110 4.7 19.8 1.0

Calcium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 14-3-3 Sigma in Complex with Phosphorylated MLF1 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:36.6 occ:1.00 OE2 A:GLU188 2.4 25.6 1.0 O A:HOH585 2.4 43.4 1.0 CD A:GLU188 3.3 25.6 1.0 CG A:GLU188 3.7 22.1 1.0 OE1 A:GLU188 4.4 29.6 1.0 O A:HOH707 4.5 39.5 1.0

A.Ballone, R.A.Lau, F.P.A.Zweipfenning, C.Ottmann. A New Soaking Procedure For X-Ray Crystallographic Structural Determination of Protein-Peptide Complexes. Acta Crystallogr.,Sect.F V. 76 501 2020.
ISSN: ESSN 2053-230X
PubMed: 33006579
DOI: 10.1107/S2053230X2001122X