Magnesium in PDB 7zmw: 14-3-3S Binding to Non-Natural Peptide 2C

The structure of 14-3-3S Binding to Non-Natural Peptide 2C, PDB code: 7zmw was solved by B.A.Somsen, F.W.B.Craenmehr, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.03 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.976, 111.609, 62.484, 90, 90, 90
R / Rfree (%)	17.9 / 22.1

The binding sites of Magnesium atom in the 14-3-3S Binding to Non-Natural Peptide 2C (pdb code 7zmw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 14-3-3S Binding to Non-Natural Peptide 2C, PDB code: 7zmw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3S Binding to Non-Natural Peptide 2C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 14-3-3S Binding to Non-Natural Peptide 2C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:6.0 occ:0.50 O A:HOH573 2.3 26.1 1.0 OE1 A:GLU2 2.3 11.8 1.0 O A:HOH640 2.4 33.9 1.0 O A:HOH420 2.5 8.1 1.0 CD A:GLU2 3.4 13.5 1.0 OE2 A:GLU2 3.8 10.6 1.0 HA A:GLU2 4.0 7.0 1.0 H A:ARG3 4.1 4.8 1.0 O A:HOH549 4.3 8.1 1.0 O A:HOH649 4.5 10.4 1.0 CG A:GLU2 4.7 5.1 1.0 HB3 A:GLU2 4.7 7.5 1.0 CA A:GLU2 4.8 5.8 1.0 N A:ARG3 4.9 4.0 1.0 HG2 A:GLU2 4.9 6.1 1.0 CB A:GLU2 5.0 6.3 1.0

Magnesium binding site 2 out of 2 in the 14-3-3S Binding to Non-Natural Peptide 2C


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 14-3-3S Binding to Non-Natural Peptide 2C within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:25.0 occ:1.00 O A:GLU110 2.3 8.4 1.0 O A:HOH545 2.3 29.9 1.0 OE2 A:GLU35 2.4 11.6 1.0 O A:HOH574 2.5 27.5 1.0 OE1 A:GLU35 2.7 19.6 1.0 CD A:GLU35 2.8 27.4 1.0 H A:GLY112 3.3 18.6 1.0 C A:GLU110 3.5 16.2 1.0 HB3 A:GLU110 3.7 13.2 1.0 N A:GLY112 3.9 15.5 1.0 HA A:ALA111 3.9 5.4 1.0 HA3 A:GLY112 4.2 17.6 1.0 CG A:GLU35 4.3 16.4 1.0 HA A:GLU110 4.3 10.5 1.0 CA A:GLU110 4.4 8.7 1.0 HG2 A:GLU35 4.4 19.6 1.0 N A:ALA111 4.4 5.7 1.0 CB A:GLU110 4.5 11.0 1.0 CA A:ALA111 4.5 4.5 1.0 OE1 A:GLU110 4.6 22.5 1.0 C A:ALA111 4.7 14.0 1.0 CA A:GLY112 4.7 14.6 1.0 HG3 A:GLU35 4.7 19.6 1.0

B.A.Somsen, F.W.B.Craenmehr, W.W.Liu, A.A.Koops, M.A.M.Pennings, E.J.Visser, C.Ottmann, P.J.Cossar, L.Brunsveld. Functional Mapping of the 14-3-3 Hub Protein As A Guide to Design 14-3-3 Molecular Glues. Chem Sci V. 13 13122 2022.
ISSN: ISSN 2041-6520
PubMed: 36425501
DOI: 10.1039/D2SC04662H