Magnesium in PDB 7b9m: Cys-45-Tethered Stabilizer 3 of 14-3-3(Sigma)/Era Ppi

The structure of Cys-45-Tethered Stabilizer 3 of 14-3-3(Sigma)/Era Ppi, PDB code: 7b9m 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)	41.89 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.908, 112.705, 62.64, 90, 90, 90
R / Rfree (%)	17.1 / 21.3

The binding sites of Magnesium atom in the Cys-45-Tethered Stabilizer 3 of 14-3-3(Sigma)/Era Ppi (pdb code 7b9m). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Cys-45-Tethered Stabilizer 3 of 14-3-3(Sigma)/Era Ppi, PDB code: 7b9m:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Cys-45-Tethered Stabilizer 3 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 3 of 14-3-3(Sigma)/Era Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:39.6 occ:1.00 O A:HOH756 2.6 22.8 1.0 O A:HOH502 3.9 9.0 1.0

Magnesium binding site 2 out of 2 in the Cys-45-Tethered Stabilizer 3 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 2 of Cys-45-Tethered Stabilizer 3 of 14-3-3(Sigma)/Era Ppi within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:18.5 occ:1.00 O A:HOH458 2.0 35.5 1.0 OE2 A:GLU89 2.4 13.9 1.0 OE2 A:GLU86 2.4 10.8 0.5 OE1 A:GLU86 2.5 13.0 0.5 O A:HOH644 2.5 26.9 1.0 CD A:GLU86 2.8 10.7 0.5 CD A:GLU89 3.4 9.8 1.0 CG A:GLU89 4.1 6.8 1.0 O A:HOH534 4.1 21.6 1.0 CG A:GLU86 4.3 13.1 0.5 OE1 A:GLU89 4.3 8.9 1.0 O A:HOH513 4.4 24.5 1.0 NH1 A:ARG85 4.5 12.2 1.0 OE1 A:GLN93 4.5 10.2 1.0 O A:HOH643 4.7 22.3 1.0 NE2 A:GLN93 4.7 12.2 1.0 CG A:GLU86 4.8 10.5 0.6 CB A:GLU89 4.8 7.3 1.0 OG1 A:THR90 4.9 10.6 1.0 CD A:GLN93 5.0 12.4 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