Magnesium in PDB 8bz0: Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275), PDB code: 8bz0 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)	45.38 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.693, 111.927, 62.519, 90, 90, 90
R / Rfree (%)	18.5 / 20.1

The binding sites of Magnesium atom in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275) (pdb code 8bz0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275), PDB code: 8bz0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)


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 (AZ275) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:33.4 occ:1.00 O A:HOH424 2.7 15.1 1.0 O A:HOH672 2.8 35.2 1.0 O A:HOH593 3.2 28.0 1.0 O A:HOH419 3.7 32.5 1.0 HZ2 A:LYS159 4.1 39.2 1.0 O A:HOH530 4.2 17.2 1.0 OE2 A:GLU189 4.5 13.8 1.0 HZ1 A:LYS159 4.6 39.2 1.0 HE22 A:GLN152 4.8 22.7 1.0 NZ A:LYS159 4.8 32.7 1.0 O A:HOH576 5.0 26.2 1.0

Magnesium binding site 2 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)


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 (AZ275) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:14.0 occ:0.72 OE1 A:GLU2 2.6 16.5 1.0 O A:HOH413 2.7 16.4 1.0 CD A:GLU2 3.6 15.7 1.0 OE2 A:GLU2 4.0 15.8 1.0 HA A:GLU2 4.1 14.1 1.0 H A:ARG3 4.2 12.7 1.0 O A:HOH580 4.5 15.9 1.0 O A:HOH658 4.6 15.8 1.0 CG A:GLU2 4.9 12.7 1.0 HB3 A:GLU2 4.9 14.6 1.0 CA A:GLU2 4.9 11.7 1.0 N A:ARG3 5.0 10.6 1.0

Magnesium binding site 3 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ275) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:19.9 occ:1.00 OE2 A:GLU86 2.4 17.4 0.4 O A:HOH592 2.4 28.0 1.0 OE2 A:GLU89 2.4 18.1 1.0 OE1 A:GLU86 2.5 17.9 0.4 CD A:GLU86 2.8 14.9 0.4 CD A:GLU89 3.5 12.3 1.0 HG2 A:GLU89 3.8 15.5 1.0 HH12 A:ARG85 3.9 20.5 1.0 HG2 A:GLU86 4.0 18.8 0.6 O A:HOH535 4.0 32.8 1.0 HE22 A:GLN93 4.1 18.5 1.0 CG A:GLU89 4.2 12.9 1.0 CG A:GLU86 4.3 17.2 0.4 HB3 A:GLU89 4.3 15.7 1.0 HH11 A:ARG85 4.3 20.5 1.0 O A:HOH577 4.4 28.2 1.0 OE1 A:GLU89 4.4 13.5 1.0 NH1 A:ARG85 4.5 17.1 1.0 HA A:GLU86 4.5 15.2 0.6 OE1 A:GLN93 4.5 15.2 1.0 HA A:GLU86 4.5 15.2 0.4 HG1 A:THR90 4.6 22.0 1.0 O A:HOH537 4.6 28.8 1.0 HG2 A:GLU86 4.6 20.7 0.4 HB3 A:GLU86 4.7 16.6 0.6 HG3 A:GLU86 4.7 20.7 0.4 NE2 A:GLN93 4.7 15.4 1.0 CG A:GLU86 4.8 15.6 0.6 CB A:GLU89 4.8 13.1 1.0 OG1 A:THR90 4.9 18.3 1.0 HB3 A:GLU86 5.0 16.5 0.4

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 Via Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004