Calcium in PDB 7npg: Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 22

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 22, PDB code: 7npg 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)	41.83 / 1.37
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.933, 112.272, 62.731, 90, 90, 90
R / Rfree (%)	15.5 / 17.1

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 22 also contains other interesting chemical elements:

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

The binding sites of Calcium atom in the Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 22 (pdb code 7npg). 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 20MER Amot-P130 Peptide and Fragment 22, PDB code: 7npg:
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 20MER Amot-P130 Peptide and Fragment 22


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 20MER Amot-P130 Peptide and Fragment 22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:16.6 occ:0.88 O A:GLU110 2.3 17.8 0.7 O A:GLU110 2.3 17.8 0.3 OE2 A:GLU35 2.3 17.4 1.0 O A:HOH572 2.3 22.5 1.0 O A:HOH638 2.4 20.8 1.0 OE1 A:GLU35 2.7 21.6 1.0 CD A:GLU35 2.8 21.1 1.0 C A:GLU110 3.5 17.1 0.7 H A:GLY112 3.5 20.5 1.0 C A:GLU110 3.5 17.4 0.3 HB3 A:GLU110 3.7 19.1 0.7 HA A:ALA111 3.9 18.6 1.0 HB3 A:GLU110 3.9 18.6 0.3 O A:HOH660 4.1 32.2 1.0 N A:GLY112 4.1 17.1 1.0 HA A:GLU110 4.3 18.9 0.3 HA A:GLU110 4.3 18.8 0.7 CG A:GLU35 4.3 15.9 1.0 CA A:GLU110 4.4 15.6 0.7 CA A:GLU110 4.4 15.7 0.3 N A:ALA111 4.4 15.0 1.0 CB A:GLU110 4.5 15.9 0.7 HA3 A:GLY112 4.5 21.8 1.0 CA A:ALA111 4.5 15.5 1.0 HG2 A:GLU35 4.5 19.1 1.0 O A:HOH454 4.6 24.7 1.0 CB A:GLU110 4.6 15.5 0.3 O A:HOH661 4.7 34.2 1.0 OE1 A:GLU110 4.7 20.2 0.7 HG3 A:GLU35 4.7 19.1 1.0 C A:ALA111 4.8 16.2 1.0 O A:HOH448 4.8 31.3 1.0 O A:HOH508 4.8 22.6 1.0 HB2 A:GLU110 4.9 19.1 0.7 CA A:GLY112 4.9 18.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 22


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 20MER Amot-P130 Peptide and Fragment 22 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:30.5 occ:0.54 O A:GLU161 2.2 20.6 1.0 O A:HOH475 2.3 37.3 1.0 O A:HOH614 2.6 29.3 1.0 C A:GLU161 3.4 17.1 1.0 HA A:MET162 3.6 20.0 1.0 HB3 A:GLU161 3.9 21.6 1.0 HA A:GLU161 4.1 18.5 1.0 HD3 A:PRO163 4.3 22.2 1.0 CA A:GLU161 4.3 15.4 1.0 N A:MET162 4.3 15.3 1.0 CA A:MET162 4.4 16.7 1.0 O A:HOH709 4.5 37.9 1.0 CB A:GLU161 4.6 18.0 1.0 OE1 A:GLU161 4.7 33.1 1.0 HG2 A:MET162 4.8 19.6 1.0 HG3 A:MET162 5.0 19.6 1.0 HD2 A:PRO163 5.0 22.2 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