Magnesium in PDB 5n5t: 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2

The structure of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2, PDB code: 5n5t was solved by E.Sijbesma, S.Leysen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.15 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.512, 112.273, 62.591, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.4

The structure of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2 also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2 (pdb code 5n5t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2, PDB code: 5n5t:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:7.0 occ:1.00 O A:HOH460 2.1 27.5 1.0 OE1 A:GLU188 2.3 18.0 1.0 HG2 A:GLU188 3.2 15.2 1.0 CD A:GLU188 3.4 15.9 1.0 CG A:GLU188 3.8 12.7 1.0 HG3 A:GLU188 4.2 15.2 1.0 OE2 A:GLU188 4.4 17.2 1.0 O A:HOH620 4.6 22.4 1.0 HB3 A:GLU188 4.9 15.8 1.0 CB A:GLU188 5.0 13.1 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:8.6 occ:0.60 OE1 A:GLU2 2.2 15.7 1.0 CD A:GLU2 3.2 14.2 1.0 OE2 A:GLU2 3.6 13.5 1.0 HA A:GLU2 4.0 9.4 1.0 H A:ARG3 4.1 10.1 1.0 O A:HOH552 4.2 11.9 1.0 CG A:GLU2 4.5 13.0 1.0 HB3 A:GLU2 4.5 14.4 1.0 O A:HOH597 4.6 19.3 1.0 O A:HOH412 4.7 24.5 1.0 HG2 A:GLU2 4.8 15.7 1.0 CA A:GLU2 4.8 7.8 1.0 CB A:GLU2 4.8 12.0 1.0 N A:ARG3 4.9 8.4 1.0

E.Sijbesma, L.Skora, S.Leysen, L.Brunsveld, U.Koch, P.Nussbaumer, W.Jahnke, C.Ottmann. Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry V. 56 3972 2017.
ISSN: ISSN 1520-4995
PubMed: 28681606
DOI: 10.1021/ACS.BIOCHEM.7B00153