Magnesium in PDB 8c3c: 14-3-3 Sigma with PIN1 Binding Site PS72 and Bound Fusicoccin A

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Bound Fusicoccin A:
5.2.1.8;

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Bound Fusicoccin A, PDB code: 8c3c was solved by C.J.Verhoef, P.Cossar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.54 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.847, 111.544, 62.544, 90, 90, 90
R / Rfree (%)	19.2 / 20

The binding sites of Magnesium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Bound Fusicoccin A (pdb code 8c3c). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Bound Fusicoccin A, PDB code: 8c3c:

Magnesium binding site 1 out of 1 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Bound Fusicoccin A


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 with PIN1 Binding Site PS72 and Bound Fusicoccin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:30.0 occ:1.00 O A:HOH564 2.2 28.8 1.0 OE2 A:GLU35 2.2 25.2 1.0 O A:GLU110 2.4 21.0 1.0 OE1 A:GLU35 2.5 30.2 1.0 CD A:GLU35 2.7 26.5 1.0 C A:GLU110 3.6 22.8 1.0 N A:GLY112 4.2 25.4 1.0 CG A:GLU35 4.2 22.3 1.0 CA A:GLU110 4.5 22.2 1.0 CB A:GLU110 4.5 24.3 1.0 N A:ALA111 4.6 22.3 1.0 CA A:ALA111 4.7 23.0 1.0 O A:HOH466 4.7 35.1 1.0 OE1 A:GLU110 4.8 35.9 1.0 C A:ALA111 4.9 24.8 1.0 CA A:GLY112 4.9 25.7 1.0

C.J.Verhoef, D.Kay, L.Van Dijck, R.G.Doveston, L.Brunsveld, A.C.Leney, P.Cossar. Tracking the Mechanism of Covalent Molecular Glue Stabilization Using Native Mass Spectrometry Chem Sci 2023.
ISSN: ESSN 2041-6539
DOI: 10.1039/D3SC01732J