Magnesium in PDB 8bza: Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ555)

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ555), PDB code: 8bza 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)	55.95 / 1.25
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.842, 111.897, 62.456, 90, 90, 90
R / Rfree (%)	18.3 / 19.6

The binding sites of Magnesium atom in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ555) (pdb code 8bza). 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 (AZ555), PDB code: 8bza:
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 (AZ555)


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 (AZ555) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:30.8 occ:1.00 O A:HOH652 3.0 31.1 1.0 O A:HOH417 3.6 18.3 1.0 O A:HOH448 4.1 23.0 1.0 O A:HOH593 4.4 28.2 1.0 HZ2 A:LYS159 4.4 49.0 1.0 HZ1 A:LYS159 4.4 49.0 1.0 OE2 A:GLU189 4.8 17.2 1.0 NZ A:LYS159 4.9 40.8 1.0

Magnesium binding site 2 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ555)


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 (AZ555) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:14.8 occ:0.68 OE1 A:GLU2 2.6 19.1 1.0 O A:HOH410 2.6 18.8 1.0 CD A:GLU2 3.6 17.6 1.0 OE2 A:GLU2 4.0 17.3 1.0 HA A:GLU2 4.1 16.0 1.0 H A:ARG3 4.2 15.5 1.0 O A:HOH522 4.3 18.6 1.0 O A:HOH573 4.5 18.7 1.0 HB3 A:GLU2 4.8 17.5 1.0 CG A:GLU2 4.9 15.9 1.0 CA A:GLU2 4.9 13.3 1.0 N A:ARG3 5.0 12.9 1.0

Magnesium binding site 3 out of 3 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ555)


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 (AZ555) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:22.7 occ:1.00 O A:HOH425 2.3 26.9 1.0 OE2 A:GLU89 2.4 20.6 1.0 O A:HOH597 2.4 32.4 1.0 CD A:GLU89 3.5 15.1 1.0 HG2 A:GLU86 3.7 22.9 1.0 HG2 A:GLU89 3.8 18.2 1.0 HH12 A:ARG85 3.9 23.9 1.0 HE22 A:GLN93 4.1 19.8 1.0 O A:HOH479 4.1 32.9 1.0 CG A:GLU89 4.2 15.1 1.0 HB3 A:GLU89 4.3 17.8 1.0 HH11 A:ARG85 4.3 23.9 1.0 OE1 A:GLU89 4.4 15.8 1.0 O A:HOH548 4.5 32.4 1.0 NH1 A:ARG85 4.5 19.9 1.0 HA A:GLU86 4.5 16.8 1.0 OE1 A:GLN93 4.5 17.5 1.0 O A:HOH603 4.5 35.0 1.0 HG1 A:THR90 4.5 23.9 1.0 CG A:GLU86 4.6 19.1 1.0 HB3 A:GLU86 4.7 20.8 1.0 NE2 A:GLN93 4.7 16.5 1.0 CB A:GLU89 4.8 14.8 1.0 OG1 A:THR90 4.9 19.9 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 Via Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004