Calcium in PDB 5my9: Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935

All present enzymatic activity of Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935:
2.7.11.1;

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935, PDB code: 5my9 was solved by L.M.Stevers, R.M.J.M.De Vries, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.46 / 1.33
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.291, 112.030, 62.430, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 20.1

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935 (pdb code 5my9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935, PDB code: 5my9:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935


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 Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:25.6 occ:1.00 O A:GLU161 2.3 18.1 1.0 O A:HOH637 2.4 40.7 1.0 O A:HOH550 2.6 26.4 1.0 C A:GLU161 3.5 15.5 1.0 O A:HOH628 4.3 43.8 1.0 CA A:GLU161 4.4 14.1 1.0 N A:MET162 4.4 14.3 1.0 CA A:MET162 4.4 14.5 1.0 OE2 A:GLU115 4.5 32.6 1.0 CB A:GLU161 4.7 15.6 1.0 OE1 A:GLU161 4.8 31.2 1.0 CD A:PRO163 4.9 15.0 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935


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 Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:15.2 occ:1.00 O A:GLU110 2.3 15.5 1.0 O A:HOH485 2.3 20.6 1.0 OE2 A:GLU35 2.3 17.3 1.0 O A:HOH641 2.4 19.7 1.0 OE1 A:GLU35 2.7 23.9 1.0 CD A:GLU35 2.9 20.7 1.0 C A:GLU110 3.5 14.3 1.0 N A:GLY112 4.1 16.8 1.0 O A:HOH667 4.2 31.3 1.0 CG A:GLU35 4.3 15.2 1.0 CA A:GLU110 4.4 13.3 0.5 CA A:GLU110 4.4 13.1 0.5 OE1 A:GLU110 4.4 19.1 0.5 N A:ALA111 4.5 13.4 1.0 CB A:GLU110 4.5 14.4 0.5 CA A:ALA111 4.5 13.8 1.0 CB A:GLU110 4.6 14.1 0.5 O A:HOH463 4.6 26.5 1.0 O A:HOH510 4.6 42.6 1.0 C A:ALA111 4.7 13.5 1.0 O A:HOH469 4.8 25.4 1.0 CA A:GLY112 4.8 18.0 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Human 14-3-3 Sigma in Complex with LRRK2 Peptide PS935 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:18.7 occ:0.50 O A:HOH640 2.3 38.2 1.0 OE1 A:GLU2 2.4 16.7 1.0 O A:HOH444 2.5 17.3 1.0 O A:HOH655 2.6 34.1 1.0 CD A:GLU2 3.4 16.7 1.0 OE2 A:GLU2 3.8 16.8 1.0 O A:HOH594 4.3 16.1 1.0 O A:HOH745 4.4 17.1 1.0 CG A:GLU2 4.7 13.7 1.0 CA A:GLU2 4.8 11.2 1.0 N A:ARG3 4.9 10.8 1.0 CB A:GLU2 5.0 12.3 1.0

L.M.Stevers, R.M.De Vries, R.G.Doveston, L.G.Milroy, L.Brunsveld, C.Ottmann. Structural Interface Between LRRK2 and 14-3-3 Protein. Biochem. J. V. 474 1273 2017.
ISSN: ESSN 1470-8728
PubMed: 28202711
DOI: 10.1042/BCJ20161078