Calcium in PDB 4fl5: Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214, PDB code: 4fl5 was solved by B.Schumacher, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.64 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.690, 70.080, 128.130, 90.00, 90.00, 90.00
R / Rfree (%)	15.6 / 21.2

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214 also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Calcium atom in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214 (pdb code 4fl5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 6 binding sites of Calcium where determined in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214, PDB code: 4fl5:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6;

Calcium binding site 1 out of 6 in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214


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 A Tau-Protein Peptide Surrounding PS214 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:34.6 occ:1.00 O A:HOH664 2.3 41.0 1.0 O A:HOH624 2.3 31.6 1.0 O A:HOH630 2.4 22.6 1.0 O A:HOH498 2.5 26.8 1.0 O A:HOH547 2.5 37.1 1.0 O A:HOH476 2.5 22.7 1.0 O A:HOH420 4.4 16.0 1.0 OD2 A:ASP215 4.5 19.6 1.0 CB A:ASP211 4.6 14.1 1.0 OD1 A:ASP215 4.7 17.4 1.0 OD2 A:ASP211 4.8 26.0 1.0 CG A:ASP211 5.0 22.4 1.0

Calcium binding site 2 out of 6 in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214


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 A Tau-Protein Peptide Surrounding PS214 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca306 b:20.4 occ:0.50 O A:HOH432 2.2 32.9 1.0 OE1 A:GLU2 2.5 23.1 1.0 O A:HOH426 2.7 17.4 1.0 CD A:GLU2 3.4 22.0 1.0 OE2 A:GLU2 3.7 23.1 1.0 O A:HOH410 4.5 11.5 1.0 O A:HOH463 4.5 19.1 1.0 O A:HOH617 4.5 24.0 1.0 CG A:GLU2 4.7 16.9 1.0 CA A:GLU2 4.8 12.3 1.0

Calcium binding site 3 out of 6 in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214


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 A Tau-Protein Peptide Surrounding PS214 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca307 b:42.8 occ:1.00 O A:GLU161 2.4 14.7 1.0 O A:HOH414 2.5 31.0 1.0 O A:HOH613 2.6 44.2 1.0 O A:HOH568 2.7 28.1 1.0 O A:HOH588 2.8 34.4 1.0 O A:HOH579 2.8 37.6 1.0 C A:GLU161 3.5 15.0 1.0 CA A:MET162 4.4 12.7 1.0 N A:MET162 4.4 13.9 1.0 CA A:GLU161 4.4 15.1 0.3 CA A:GLU161 4.4 15.3 0.5 CA A:GLU161 4.4 15.2 0.2 OE2 A:GLU115 4.6 35.0 1.0 OE1 A:GLU161 4.6 17.8 0.2 CB A:GLU161 4.8 14.2 0.3 CB A:GLU161 4.8 14.3 0.5 CB A:GLU161 4.8 14.8 0.2 O A:HOH612 4.9 49.7 1.0 CD A:PRO163 4.9 13.2 1.0 O A:HOH592 4.9 32.7 1.0

Calcium binding site 4 out of 6 in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca308 b:18.3 occ:0.50 O A:GLU110 2.2 8.8 0.3 OE1 A:GLU35 2.3 31.8 0.7 O A:HOH591 2.3 43.2 1.0 OE2 A:GLU35 2.6 19.8 0.3 OE2 A:GLU35 2.6 28.8 0.7 O A:HOH500 2.7 42.0 1.0 CD A:GLU35 2.8 28.0 0.7 C A:GLU110 3.5 8.5 0.3 O A:HOH669 3.5 39.8 1.0 CD A:GLU35 3.6 17.3 0.3 N A:GLY112 3.9 9.3 0.3 CG A:GLU35 4.0 15.2 0.3 CG A:GLU35 4.3 21.4 0.7 N A:GLY112 4.3 32.1 0.7 CA A:GLU110 4.4 9.0 0.3 CB A:ALA111 4.4 34.2 0.7 N A:ALA111 4.4 6.3 0.3 CA A:ALA111 4.4 6.3 0.3 CB A:GLU110 4.5 9.1 0.3 O A:HOH665 4.5 32.8 1.0 OE1 A:GLU110 4.6 17.9 0.3 C A:ALA111 4.6 7.0 0.3 O A:HOH666 4.7 33.2 1.0 O A:HOH470 4.7 20.4 1.0 OE1 A:GLU35 4.7 15.0 0.3 CA A:GLY112 4.8 27.3 0.7 CA A:GLY112 4.8 12.9 0.3

Calcium binding site 5 out of 6 in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca309 b:21.9 occ:1.00 O A:HOH553 3.0 23.4 1.0 O A:HOH589 3.1 25.2 1.0 CA A:TYR84 3.7 13.8 1.0 CD A:LYS87 3.7 24.1 1.0 CD A:LYS87 3.7 22.6 0.0 O A:GLU83 3.9 11.5 1.0 N A:TYR84 4.0 13.0 1.0 C A:GLU83 4.0 13.0 1.0 CD1 A:TYR84 4.1 12.7 1.0 CB A:LYS87 4.1 12.7 0.0 CB A:LYS87 4.1 13.5 1.0 CB A:TYR84 4.1 12.0 1.0 CB A:GLU83 4.3 14.5 1.0 CG A:TYR84 4.6 15.3 1.0 CG A:LYS87 4.6 20.3 0.0 O A:HOH521 4.6 18.7 1.0 CG A:LYS87 4.6 20.5 1.0 CE A:LYS87 4.7 22.6 1.0 CE A:LYS87 4.8 21.7 0.0 CA A:GLU83 4.8 13.8 1.0 NZ A:LYS87 4.9 29.5 0.0

Calcium binding site 6 out of 6 in the Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Human 14-3-3 Sigma in Complex with A Tau-Protein Peptide Surrounding PS214 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca303 b:24.8 occ:1.00 O B:HOH632 2.9 31.0 1.0 O B:HOH454 3.1 25.6 1.0 CA B:TYR84 3.8 12.3 1.0 O B:GLU83 3.9 11.2 1.0 CD B:LYS87 3.9 22.0 1.0 N B:TYR84 4.0 12.0 1.0 C B:GLU83 4.0 11.3 1.0 CB B:LYS87 4.1 13.4 0.3 CB B:LYS87 4.1 13.3 0.7 CB B:TYR84 4.2 12.1 1.0 CD1 B:TYR84 4.2 11.7 1.0 CB B:GLU83 4.2 10.3 1.0 O B:HOH598 4.3 17.6 1.0 CG B:LYS87 4.5 17.0 0.3 CG B:LYS87 4.5 17.7 0.7 CG B:TYR84 4.7 11.9 1.0 CA B:GLU83 4.8 13.0 1.0 O B:HOH597 4.8 51.7 1.0

Y.Joo, B.Schumacher, M.Bartel, C.Smet-Nocca, A.Jang, H.S.Choi, N.L.Jeon, H.S.Kim, I.Landrieu, Y.H.Suh, C.Ottmann. 14-3-3 Binding to Tau Causes Tubulin Instability and Impairs Axon Development: Structural Basis and Functional Consequences of 14-3-3/Tau Interaction To Be Published.