Magnesium in PDB 7nnd: Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09, PDB code: 7nnd 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)	45.46 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.835, 111.6, 62.702, 90, 90, 90
R / Rfree (%)	15.3 / 17.2

The structure of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09 (pdb code 7nnd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09, PDB code: 7nnd:

Magnesium binding site 1 out of 1 in the Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of 14-3-3 Sigma in Complex with 13MER Amot-P130 Peptide and Fragment 09 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:12.6 occ:0.50 OE1 A:GLU2 2.5 16.6 1.0 O A:HOH643 2.5 34.7 1.0 O A:HOH427 2.6 15.7 1.0 O A:HOH649 2.6 29.5 1.0 CD A:GLU2 3.4 15.7 1.0 OE2 A:GLU2 3.8 15.2 1.0 HA A:GLU2 4.0 11.7 1.0 H A:ARG3 4.2 13.2 1.0 O A:HOH600 4.3 15.8 1.0 O A:HOH712 4.5 17.2 1.0 HB3 A:GLU2 4.7 13.8 1.0 CG A:GLU2 4.7 11.6 1.0 CA A:GLU2 4.8 9.8 1.0 HG2 A:GLU2 4.9 13.9 1.0 N A:ARG3 5.0 11.0 1.0 CB A:GLU2 5.0 11.5 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