Calcium in PDB 5n5w: 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV3

The structure of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV3, PDB code: 5n5w was solved by E.Sijbesma, S.Leysen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.33 / 1.37
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.293, 112.286, 62.506, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 16.5

The structure of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV3 also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Calcium atom in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV3 (pdb code 5n5w). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV3, PDB code: 5n5w:

Calcium binding site 1 out of 1 in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV3


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 Taz PS89 Peptide and Fragment NV3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:21.6 occ:1.00 O A:HOH438 2.3 27.9 1.0 OE2 A:GLU188 2.3 21.7 1.0 O A:HOH583 2.4 26.9 1.0 O A:HOH557 2.4 23.0 1.0 HG2 A:GLU188 3.2 21.3 1.0 CD A:GLU188 3.3 19.9 1.0 CG A:GLU188 3.7 17.8 1.0 O A:HOH590 4.1 36.7 1.0 HG3 A:GLU188 4.2 21.3 1.0 OE1 A:GLU188 4.4 21.0 1.0 O A:HOH571 4.5 32.4 1.0 HB3 A:GLU188 4.8 19.5 1.0 CB A:GLU188 4.9 16.3 1.0

E.Sijbesma, L.Skora, S.Leysen, L.Brunsveld, U.Koch, P.Nussbaumer, W.Jahnke, C.Ottmann. Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry V. 56 3972 2017.
ISSN: ISSN 1520-4995
PubMed: 28681606
DOI: 10.1021/ACS.BIOCHEM.7B00153