Magnesium in PDB 7b9r: Cys-45-Tethered Stabilizer 4 of 14-3-3(Sigma)/Era Ppi

The structure of Cys-45-Tethered Stabilizer 4 of 14-3-3(Sigma)/Era Ppi, PDB code: 7b9r 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)	41.04 / 1.15
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.071, 112.434, 62.496, 90, 90, 90
R / Rfree (%)	19.2 / 19.6

The binding sites of Magnesium atom in the Cys-45-Tethered Stabilizer 4 of 14-3-3(Sigma)/Era Ppi (pdb code 7b9r). 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-45-Tethered Stabilizer 4 of 14-3-3(Sigma)/Era Ppi, PDB code: 7b9r:

Magnesium binding site 1 out of 1 in the Cys-45-Tethered Stabilizer 4 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-45-Tethered Stabilizer 4 of 14-3-3(Sigma)/Era Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:19.3 occ:1.00 OE2 A:GLU89 2.4 18.1 1.0 O A:HOH624 2.4 28.0 1.0 CD A:GLU89 3.4 13.7 1.0 O A:HOH538 4.0 27.2 1.0 CG A:GLU89 4.2 12.5 1.0 OE1 A:GLU89 4.3 13.8 1.0 NH1 A:ARG85 4.4 18.0 1.0 O A:HOH422 4.5 28.8 1.0 OE1 A:GLN93 4.5 15.0 1.0 O A:HOH635 4.6 28.6 1.0 CG A:GLU86 4.6 16.9 1.0 NE2 A:GLN93 4.7 15.7 1.0 CB A:GLU89 4.8 13.4 1.0 OG1 A:THR90 4.9 17.0 1.0 CD A:GLN93 5.0 13.7 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