Calcium in PDB 7npb: Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 09

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 09, PDB code: 7npb 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)	41.75 / 1.37
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.177, 111.826, 62.766, 90, 90, 90
R / Rfree (%)	15.4 / 17.9

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 20MER Amot-P130 Peptide and Fragment 09 also contains other interesting chemical elements:

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 09 (pdb code 7npb). 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 09, PDB code: 7npb:
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 09


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 09 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:14.1 occ:0.78 O A:GLU110 2.3 17.3 1.0 OE2 A:GLU35 2.3 16.9 1.0 O A:HOH560 2.4 20.9 1.0 O A:HOH660 2.4 20.9 1.0 OE1 A:GLU35 2.7 21.0 1.0 CD A:GLU35 2.8 20.3 1.0 H A:GLY112 3.5 19.1 1.0 C A:GLU110 3.5 16.0 1.0 HB3 A:GLU110 3.8 18.3 1.0 HA A:ALA111 3.9 17.0 1.0 N A:GLY112 4.1 15.9 1.0 O A:HOH678 4.2 29.6 1.0 HA A:GLU110 4.3 17.8 1.0 CG A:GLU35 4.3 15.3 1.0 CA A:GLU110 4.4 14.8 1.0 N A:ALA111 4.4 13.9 1.0 HA3 A:GLY112 4.4 19.2 1.0 CA A:ALA111 4.5 14.2 1.0 CB A:GLU110 4.5 15.2 1.0 HG2 A:GLU35 4.5 18.4 1.0 O A:HOH459 4.5 23.9 1.0 OE1 A:GLU110 4.6 24.9 1.0 O A:HOH676 4.7 32.2 1.0 HG3 A:GLU35 4.7 18.4 1.0 C A:ALA111 4.7 14.2 1.0 O A:HOH534 4.8 22.1 1.0 CA A:GLY112 4.9 16.0 1.0 O A:HOH579 4.9 30.1 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 09


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 09 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca303 b:31.1 occ:0.68 O A:GLU161 2.2 18.7 1.0 O A:HOH486 2.6 43.2 1.0 O A:HOH653 2.6 30.0 1.0 C A:GLU161 3.4 15.5 1.0 HA A:MET162 3.6 16.9 1.0 HB3 A:GLU161 4.0 19.9 1.0 HA A:GLU161 4.1 16.6 1.0 HD3 A:PRO163 4.2 19.2 1.0 CA A:GLU161 4.3 13.8 1.0 N A:MET162 4.3 13.5 1.0 CA A:MET162 4.4 14.1 1.0 CB A:GLU161 4.7 16.6 1.0 OE1 A:GLU161 4.8 30.5 1.0 HG2 A:MET162 4.9 18.4 1.0 HD2 A:PRO163 4.9 19.2 1.0 O A:HOH709 4.9 37.0 1.0 HG3 A:MET162 5.0 18.4 1.0 HB3 A:ALA114 5.0 23.3 1.0 CD A:PRO163 5.0 16.0 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