Magnesium in PDB 8bz9: Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354)

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354), PDB code: 8bz9 was solved by E.J.Visser, 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 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.764, 111.602, 62.364, 90, 90, 90
R / Rfree (%)	18.4 / 19.5

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) (pdb code 8bz9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354), PDB code: 8bz9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:29.9 occ:1.00 O A:HOH637 2.9 29.2 1.0 O A:HOH415 3.5 18.6 1.0 HZ1 A:LYS159 4.0 45.1 1.0 O A:HOH433 4.1 21.7 1.0 HZ2 A:LYS159 4.3 45.1 1.0 O A:HOH563 4.4 28.5 1.0 O A:HOH649 4.5 36.5 1.0 NZ A:LYS159 4.5 37.6 1.0 HZ3 A:LYS159 4.7 45.1 1.0 OE2 A:GLU189 4.8 17.2 1.0

Magnesium binding site 2 out of 2 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:16.9 occ:0.72 O A:HOH416 2.6 19.5 1.0 OE1 A:GLU2 2.6 18.3 1.0 CD A:GLU2 3.6 20.0 1.0 OE2 A:GLU2 3.9 18.3 1.0 HA A:GLU2 4.1 15.2 1.0 H A:ARG3 4.2 17.4 1.0 O A:HOH650 4.5 19.3 1.0 O A:HOH567 4.6 20.0 1.0 CG A:GLU2 4.9 15.1 1.0 HB3 A:GLU2 4.9 18.9 1.0 CA A:GLU2 5.0 12.7 1.0

E.J.Visser, P.Jaishankar, E.Sijbesma, M.A.M.Pennings, E.M.F.Vandenboorn, X.Guillory, R.J.Neitz, J.Morrow, S.Dutta, A.R.Renslo, L.Brunsveld, M.R.Arkin, C.Ottmann. From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions Through Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004