Magnesium in PDB 3p1n: Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide, PDB code: 3p1n was solved by C.Anders, Y.Higuchi, B.Schumacher, P.Thiel, N.Kato, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.50 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.220, 112.050, 62.510, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.4

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

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide (pdb code 3p1n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide, PDB code: 3p1n:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide


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 Human 14-3-3 Sigma in Complex with Task-3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg249 b:22.2 occ:1.00 O A:HOH413 2.2 37.7 1.0 O A:HOH369 2.3 36.7 1.0 O A:GLU161 2.3 18.0 1.0 O A:HOH399 2.5 38.2 1.0 O A:HOH492 2.5 32.4 1.0 C A:GLU161 3.4 14.0 1.0 N A:MET162 4.3 12.3 1.0 CA A:MET162 4.3 13.6 0.6 CA A:GLU161 4.3 12.8 1.0 CA A:MET162 4.4 11.9 0.4 O A:HOH367 4.5 45.6 1.0 OE2 A:GLU115 4.6 33.1 0.7 CB A:GLU161 4.7 14.3 1.0 OE1 A:GLU161 4.9 33.9 1.0 CD A:PRO163 4.9 15.4 1.0

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


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg251 b:8.1 occ:0.50 O A:HOH578 2.1 34.7 1.0 OE2 A:GLU2 2.2 16.6 1.0 O A:HOH425 2.7 15.2 1.0 CD A:GLU2 3.2 15.1 1.0 OE1 A:GLU2 3.5 15.5 1.0 O A:HOH457 4.1 15.5 1.0 CG A:GLU2 4.5 12.7 1.0 O A:HOH598 4.6 16.4 1.0 O A:HOH314 4.6 41.6 1.0 CA A:GLU2 4.8 8.8 1.0 CB A:GLU2 4.9 10.8 1.0 N A:ARG3 5.0 9.6 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg252 b:10.2 occ:1.00 O A:GLU110 2.3 14.3 1.0 O A:HOH528 2.4 21.7 1.0 OE2 A:GLU35 2.4 18.1 1.0 OE1 A:GLU35 2.6 20.7 1.0 CD A:GLU35 2.8 20.5 1.0 C A:GLU110 3.5 12.8 1.0 N A:GLY112 4.1 13.4 1.0 CG A:GLU35 4.3 13.6 1.0 CA A:GLU110 4.4 11.7 0.7 CB A:GLU110 4.4 11.8 0.7 CA A:GLU110 4.4 11.7 0.3 N A:ALA111 4.5 11.5 1.0 CA A:ALA111 4.5 12.0 1.0 OE1 A:GLU110 4.7 18.3 0.7 O A:HOH398 4.7 37.6 1.0 C A:ALA111 4.7 13.1 1.0 CB A:GLU110 4.8 11.4 0.3 CA A:GLY112 4.8 15.0 1.0 O A:HOH405 4.9 34.0 1.0

C.Anders, Y.Higuchi, K.Koschinsky, M.Bartel, B.Schumacher, P.Thiel, H.Nitta, R.Preisig-Muller, G.Schlichthorl, V.Renigunta, J.Ohkanda, J.Daut, N.Kato, C.Ottmann. A Semisynthetic Fusicoccane Stabilizes A Protein-Protein Interaction and Enhances the Expression of K+ Channels at the Cell Surface Chem. Biol. V. 20 583 2013.
ISSN: ISSN 1879-1301
PubMed: 23601647
DOI: 10.1016/J.CHEMBIOL.2013.03.015