Magnesium in PDB 3spr: Crystal Structure of Human 14-3-3 Sigma C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf

The structure of Crystal Structure of Human 14-3-3 Sigma C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf, PDB code: 3spr was solved by C.Anders, B.Schumacher, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.77 / 1.99
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	79.900, 109.200, 61.310, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 25

The structure of Crystal Structure of Human 14-3-3 Sigma C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf 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 C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf (pdb code 3spr). 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 C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf, PDB code: 3spr:
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 C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf


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 C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg234 b:19.6 occ:1.00 O A:HOH382 1.8 37.9 1.0 O A:HOH383 2.3 25.6 1.0 O A:GLU161 2.3 20.6 1.0 O A:HOH240 2.3 26.6 1.0 O A:HOH352 2.5 28.2 1.0 C A:GLU161 3.5 18.0 1.0 CA A:MET162 4.1 17.1 0.4 OE2 A:GLU115 4.2 30.9 1.0 CA A:MET162 4.2 17.4 0.6 N A:MET162 4.3 16.6 1.0 CA A:GLU161 4.4 17.6 1.0 CD A:PRO163 4.5 16.8 1.0 O A:HOH397 4.6 28.6 1.0 CG A:MET162 4.6 15.7 0.4 CB A:GLU161 4.8 17.7 1.0 CB A:MET162 5.0 16.7 0.4 OE1 A:GLU161 5.0 30.7 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Human 14-3-3 Sigma C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf


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 C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg235 b:14.9 occ:1.00 O A:HOH241 1.9 26.1 1.0 O A:GLU110 2.2 20.9 1.0 O A:HOH384 2.2 27.4 1.0 OE1 A:GLU35 2.3 24.5 1.0 OE2 A:GLU35 2.5 22.9 1.0 O A:HOH385 2.6 28.3 1.0 CD A:GLU35 2.7 22.3 1.0 C A:GLU110 3.4 21.1 1.0 N A:GLY112 3.8 22.7 1.0 CG A:GLU35 4.2 22.4 1.0 CA A:GLU110 4.3 20.8 1.0 N A:ALA111 4.4 19.9 1.0 CB A:GLU110 4.5 22.1 1.0 OE1 A:GLU110 4.5 37.2 1.0 CA A:ALA111 4.5 20.9 1.0 C A:ALA111 4.6 22.3 1.0 CA A:GLY112 4.6 23.8 1.0 O A:HOH253 4.8 25.3 1.0 O A:HOH386 4.9 35.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Human 14-3-3 Sigma C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf


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 C38V/N166H in Complex with Task-3 Peptide and Stabilizer Fc-Thf within 5.0Å range:

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