Calcium in PDB 7nmx: Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12, PDB code: 7nmx was solved by F.Centorrino, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.89 / 2.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.469, 111.993, 62.699, 90, 90, 90
R / Rfree (%)	17.1 / 22.7

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Magnesium	(Mg)	1 atom

The binding sites of Calcium atom in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12 (pdb code 7nmx). 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 13MER Amot-P130 Peptide and Fragment 12, PDB code: 7nmx:
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 13MER Amot-P130 Peptide and Fragment 12


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 13MER Amot-P130 Peptide and Fragment 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:14.8 occ:1.00 OE2 A:GLU188 2.4 15.3 1.0 O A:HOH544 2.5 21.4 1.0 HG2 A:GLU188 3.1 15.4 1.0 CD A:GLU188 3.4 13.0 1.0 CG A:GLU188 3.7 12.8 1.0 HG3 A:GLU188 4.1 15.4 1.0 O A:HOH606 4.2 20.6 1.0 OE1 A:GLU188 4.5 11.2 1.0 HB3 A:GLU188 4.9 16.6 1.0 CB A:GLU188 5.0 13.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 12


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 13MER Amot-P130 Peptide and Fragment 12 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca305 b:16.5 occ:1.00 H1 A:GLY-4 2.1 33.2 1.0 H2 A:GLY-4 2.1 33.2 1.0 N A:GLY-4 2.5 27.6 1.0 CL A:CL303 2.5 42.6 1.0 CL A:CL306 2.7 142.7 1.0 HA2 A:GLY-4 3.0 54.8 1.0 H3 A:GLY-4 3.2 33.2 1.0 CA A:GLY-4 3.2 45.6 1.0 HA3 A:GLY-4 3.5 54.8 1.0 OE2 A:GLU31 4.4 19.7 1.0 OE1 A:GLU31 4.5 15.3 1.0 CD A:GLU31 4.6 14.2 1.0 C A:GLY-4 4.6 30.1 1.0 O A:HOH489 4.7 23.7 1.0 CL A:CL307 4.9 101.2 1.0

F.Centorrino, B.Andlovic, P.Cossar, L.Brunsveld, C.Ottmann. Fragment-Based Exploration of the 14-3-3/Amot-P130 Interface. Curr Res Struct Biol V. 4 21 2022.
ISSN: ESSN 2665-928X
PubMed: 35036934
DOI: 10.1016/J.CRSTBI.2021.12.003