Magnesium in PDB 8p0d: Human 14-3-3 Sigma in Complex with Human MDM2 Peptide

All present enzymatic activity of Human 14-3-3 Sigma in Complex with Human MDM2 Peptide:
2.3.2.27;

The structure of Human 14-3-3 Sigma in Complex with Human MDM2 Peptide, PDB code: 8p0d was solved by P.Roversi, J.Ward, R.Doveston, H.Kwon, B.Romartinez Alonso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.64 / 1.31
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.588, 111.824, 62.551, 90, 90, 90
R / Rfree (%)	17.8 / 20.4

The structure of Human 14-3-3 Sigma in Complex with Human MDM2 Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Human 14-3-3 Sigma in Complex with Human MDM2 Peptide (pdb code 8p0d). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human 14-3-3 Sigma in Complex with Human MDM2 Peptide, PDB code: 8p0d:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human 14-3-3 Sigma in Complex with Human MDM2 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human 14-3-3 Sigma in Complex with Human MDM2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg304 b:13.2 occ:0.50 O A:HOH581 2.2 32.9 1.0 OE1 A:GLU2 2.2 20.6 1.0 O A:HOH468 2.4 19.3 1.0 O A:HOH700 2.7 42.8 1.0 CD A:GLU2 3.2 20.9 1.0 OE2 A:GLU2 3.5 20.1 1.0 HA A:GLU2 4.0 15.0 1.0 H A:ARG3 4.1 15.1 1.0 O A:HOH622 4.2 18.8 1.0 O A:HOH744 4.3 19.2 1.0 CG A:GLU2 4.5 17.3 1.0 HB3 A:GLU2 4.6 17.1 1.0 O A:HOH530 4.6 28.5 1.0 CA A:GLU2 4.8 15.1 1.0 CB A:GLU2 4.9 17.1 1.0 HG2 A:GLU2 4.9 17.3 1.0 N A:ARG3 5.0 15.2 1.0

Magnesium binding site 2 out of 2 in the Human 14-3-3 Sigma in Complex with Human MDM2 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human 14-3-3 Sigma in Complex with Human MDM2 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg305 b:18.1 occ:1.00 O A:HOH647 2.2 34.0 1.0 O A:GLU110 2.2 21.5 1.0 OE2 A:GLU35 2.3 25.9 1.0 O A:HOH643 2.4 25.3 1.0 OE1 A:GLU35 2.6 31.9 1.0 CD A:GLU35 2.8 29.8 1.0 H A:GLY112 3.2 23.8 1.0 C A:GLU110 3.5 20.4 1.0 HA A:ALA111 3.9 19.7 1.0 HB3 A:GLU110 3.9 19.4 1.0 N A:GLY112 4.0 23.9 1.0 HA A:GLU110 4.2 17.8 1.0 O A:HOH684 4.2 39.5 1.0 HA3 A:GLY112 4.2 24.3 1.0 CG A:GLU35 4.2 21.5 1.0 CA A:GLU110 4.4 17.9 1.0 O A:HOH616 4.4 46.8 1.0 N A:ALA111 4.4 18.9 1.0 O A:HOH534 4.5 40.3 1.0 CA A:ALA111 4.5 19.8 1.0 O A:HOH722 4.5 46.6 1.0 HG2 A:GLU35 4.5 21.4 1.0 O A:HOH550 4.6 34.6 1.0 HG3 A:GLU35 4.6 21.5 1.0 CB A:GLU110 4.7 19.3 1.0 C A:ALA111 4.7 22.0 1.0 O A:HOH750 4.7 58.5 1.0 CA A:GLY112 4.7 24.3 1.0

J.A.Ward, B.Romartinez-Alonso, D.F.Kay, J.Bellamy-Carter, B.Thurairajah, J.Basran, H.Kwon, A.C.Leney, S.Macip, P.Roversi, F.W.Muskett, R.G.Doveston. Characterizing the Protein-Protein Interaction Between MDM2 and 14-3-3 Sigma ; Proof of Concept For Small Molecule Stabilization. J.Biol.Chem. V. 300 05651 2024.
ISSN: ESSN 1083-351X
PubMed: 38237679
DOI: 10.1016/J.JBC.2024.105651