Magnesium in PDB 8c2g: 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040

All present enzymatic activity of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040:
5.2.1.8;

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040, PDB code: 8c2g 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)	41.08 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.155, 111.817, 62.682, 90, 90, 90
R / Rfree (%)	17.9 / 18.6

The structure of 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040 also contains other interesting chemical elements:

Iodine

(I)

1 atom

The binding sites of Magnesium atom in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040 (pdb code 8c2g). 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 with PIN1 Binding Site PS72 and Covalently Bound CV1040, PDB code: 8c2g:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040


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 Covalently Bound CV1040 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:16.2 occ:0.50 O A:HOH495 2.2 35.2 1.0 OE1 A:GLU2 2.5 20.7 1.0 O A:HOH428 2.5 20.0 1.0 CD A:GLU2 3.4 21.0 1.0 OE2 A:GLU2 3.8 20.7 1.0 O A:HOH552 4.3 18.5 1.0 O A:HOH622 4.5 19.8 1.0 CG A:GLU2 4.7 16.0 1.0 CA A:GLU2 4.9 14.6 1.0 CB A:GLU2 5.0 15.1 1.0 O A:HOH455 5.0 27.4 1.0

Magnesium binding site 2 out of 2 in the 14-3-3 Sigma with PIN1 Binding Site PS72 and Covalently Bound CV1040


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 with PIN1 Binding Site PS72 and Covalently Bound CV1040 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:17.6 occ:1.00 OE2 A:GLU35 2.2 22.6 1.0 O A:GLU110 2.3 21.1 1.0 O A:HOH572 2.4 28.7 1.0 OE1 A:GLU35 2.8 29.8 1.0 CD A:GLU35 2.8 25.5 1.0 C A:GLU110 3.5 19.6 1.0 N A:GLY112 4.0 22.3 1.0 CG A:GLU35 4.3 17.1 1.0 CA A:GLU110 4.4 16.9 1.0 N A:ALA111 4.5 18.1 1.0 O A:HOH578 4.5 34.6 1.0 O A:HOH448 4.5 33.3 1.0 CA A:ALA111 4.5 18.3 1.0 OE1 A:GLU110 4.6 31.9 1.0 O A:HOH467 4.6 34.5 1.0 CB A:GLU110 4.6 19.1 1.0 C A:ALA111 4.7 18.9 1.0 CA A:GLY112 4.8 22.0 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