Magnesium in PDB 8bzb: Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275)

The structure of Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275), PDB code: 8bzb 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)	40.95 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.905, 112.491, 62.402, 90, 90, 90
R / Rfree (%)	16.3 / 19.3

The structure of Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275) (pdb code 8bzb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275), PDB code: 8bzb:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:27.9 occ:1.00 O A:HOH617 3.4 26.4 1.0 O A:HOH467 3.5 10.0 1.0 HZ1 A:LYS159 3.7 36.5 1.0 O A:HOH586 4.2 34.3 1.0 HZ2 A:LYS159 4.2 36.5 1.0 NZ A:LYS159 4.3 30.4 1.0 O A:HOH409 4.5 20.5 1.0 O A:HOH687 4.5 25.0 1.0 HZ3 A:LYS159 4.6 36.5 1.0 OE2 A:GLU189 4.9 7.6 1.0

Magnesium binding site 2 out of 3 in the Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:5.2 occ:0.62 O A:HOH656 2.5 35.8 1.0 O A:HOH605 2.6 29.6 1.0 OE1 A:GLU2 2.7 11.9 1.0 O A:HOH426 2.7 10.9 1.0 CD A:GLU2 3.7 11.6 1.0 OE2 A:GLU2 4.0 12.6 1.0 HA A:GLU2 4.1 6.9 1.0 H A:ARG3 4.1 9.7 1.0 O A:HOH415 4.3 11.0 1.0 O A:HOH562 4.5 10.7 1.0 CG A:GLU2 4.9 7.6 1.0 HB3 A:GLU2 4.9 7.6 1.0 N A:ARG3 5.0 8.1 1.0 CA A:GLU2 5.0 5.7 1.0

Magnesium binding site 3 out of 3 in the Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Co-Soak Stabilizers For Era - 14-3-3 Interaction (884_AZ275) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.2 occ:1.00 OE2 A:GLU89 2.4 11.8 1.0 O A:HOH594 2.4 27.5 1.0 OE1 A:GLU86 2.5 12.6 0.5 OE2 A:GLU86 2.5 15.4 0.5 CD A:GLU86 2.8 6.1 0.5 CD A:GLU89 3.5 6.9 1.0 HG2 A:GLU89 3.7 8.7 1.0 HH12 A:ARG85 4.0 14.5 1.0 O A:HOH492 4.0 23.6 1.0 HE22 A:GLN93 4.0 14.8 1.0 HG2 A:GLU86 4.0 9.6 0.6 CG A:GLU89 4.2 7.2 1.0 O A:HOH495 4.3 28.4 1.0 CG A:GLU86 4.4 12.4 0.5 HH11 A:ARG85 4.4 14.5 1.0 OE1 A:GLU89 4.4 9.6 1.0 HB3 A:GLU89 4.4 7.1 1.0 OE1 A:GLN93 4.5 9.5 1.0 NH1 A:ARG85 4.5 12.1 1.0 HA A:GLU86 4.6 8.8 0.6 HA A:GLU86 4.6 8.8 0.5 HG1 A:THR90 4.6 14.7 1.0 NE2 A:GLN93 4.6 12.3 1.0 HB3 A:GLU86 4.7 14.4 0.6 O A:HOH597 4.7 25.6 1.0 HG2 A:GLU86 4.7 14.8 0.5 HG3 A:GLU86 4.8 14.8 0.5 CG A:GLU86 4.9 8.0 0.6 CB A:GLU89 4.9 5.9 1.0 HB3 A:GLU86 4.9 14.4 0.5 HG3 A:GLU89 4.9 8.7 1.0 OG1 A:THR90 4.9 12.2 1.0 CD A:GLN93 5.0 11.7 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 Via Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004