Magnesium in PDB 7ba8: Cys-42-Tethered Stabilizer 10 of 14-3-3(Sigma)/Era Ppi

The structure of Cys-42-Tethered Stabilizer 10 of 14-3-3(Sigma)/Era Ppi, PDB code: 7ba8 was solved by E.Sijbesma, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.31 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.702, 112.163, 62.269, 90, 90, 90
R / Rfree (%)	18.5 / 20.7

The binding sites of Magnesium atom in the Cys-42-Tethered Stabilizer 10 of 14-3-3(Sigma)/Era Ppi (pdb code 7ba8). 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 Cys-42-Tethered Stabilizer 10 of 14-3-3(Sigma)/Era Ppi, PDB code: 7ba8:

Magnesium binding site 1 out of 1 in the Cys-42-Tethered Stabilizer 10 of 14-3-3(Sigma)/Era Ppi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cys-42-Tethered Stabilizer 10 of 14-3-3(Sigma)/Era Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:14.0 occ:0.76 OE1 A:GLU2 2.6 16.3 1.0 O A:HOH420 2.6 16.0 1.0 CD A:GLU2 3.6 15.5 1.0 OE2 A:GLU2 4.0 16.9 1.0 O A:HOH560 4.5 16.9 1.0 O A:HOH657 4.6 17.2 1.0 CA A:GLU2 4.9 11.7 1.0 CG A:GLU2 4.9 13.1 1.0 N A:ARG3 4.9 11.3 1.0

E.Sijbesma, K.K.Hallenbeck, S.A.Andrei, R.R.Rust, J.M.C.Adriaans, L.Brunsveld, M.R.Arkin, C.Ottmann. Exploration of A 14-3-3 Ppi Pocket By Covalent Fragments As Stabilizers. Acs Med.Chem.Lett. V. 12 976 2021.
ISSN: ISSN 1948-5875
PubMed: 34136078
DOI: 10.1021/ACSMEDCHEMLETT.1C00088