Magnesium in PDB 8byo: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361), PDB code: 8byo was solved by E.J.Visser, E.M.F.Vandenboorn, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.23 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.839, 112.354, 62.477, 90, 90, 90
R / Rfree (%)	16.4 / 17.1

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Fluorine	(F)	1 atom

The binding sites of Magnesium atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) (pdb code 8byo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361), PDB code: 8byo:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:28.4 occ:1.00 O A:HOH443 3.1 11.4 1.0 O A:HOH698 3.2 25.5 1.0 O A:HOH602 3.3 24.1 1.0 HZ2 A:LYS159 4.1 40.8 1.0 HZ1 A:LYS159 4.2 40.8 1.0 O A:HOH461 4.2 17.8 1.0 O A:HOH646 4.4 21.8 1.0 O A:HOH682 4.4 24.4 1.0 NZ A:LYS159 4.5 34.0 1.0 O A:HOH719 4.6 24.4 1.0 OE2 A:GLU189 4.7 12.2 1.0 HZ3 A:LYS159 4.8 40.8 1.0 O A:HOH634 5.0 28.9 1.0

Magnesium binding site 2 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:10.0 occ:0.67 O A:HOH623 2.1 25.1 1.0 OE1 A:GLU2 2.3 12.7 1.0 O A:HOH418 2.4 12.1 1.0 CD A:GLU2 3.2 11.1 1.0 OE2 A:GLU2 3.6 12.6 1.0 HA A:GLU2 4.0 10.0 1.0 O A:HOH614 4.1 12.7 1.0 H A:ARG3 4.1 10.2 1.0 O A:HOH754 4.3 12.7 1.0 CG A:GLU2 4.6 10.1 1.0 HB3 A:GLU2 4.6 11.2 1.0 O A:HOH500 4.7 17.1 1.0 CA A:GLU2 4.8 8.4 1.0 HG2 A:GLU2 4.9 12.1 1.0 CB A:GLU2 4.9 9.3 1.0 N A:ARG3 4.9 8.5 1.0

Magnesium binding site 3 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:17.1 occ:1.00 O A:HOH450 2.2 22.4 1.0 O A:HOH571 2.2 31.5 1.0 O A:HOH617 2.3 31.6 1.0 O A:HOH676 2.3 27.2 1.0 OE2 A:GLU89 2.3 15.0 1.0 O A:HOH641 2.4 23.4 1.0 CD A:GLU89 3.4 11.1 1.0 HG2 A:GLU86 3.6 17.3 1.0 HG2 A:GLU89 3.8 13.2 1.0 HH12 A:ARG85 4.0 18.8 1.0 HE22 A:GLN93 4.0 14.8 1.0 O A:HOH538 4.0 27.0 1.0 CG A:GLU89 4.2 11.0 1.0 HB3 A:GLU89 4.3 12.1 1.0 OE1 A:GLU89 4.3 11.3 1.0 HH11 A:ARG85 4.3 18.8 1.0 NH1 A:ARG85 4.5 15.7 1.0 HA A:GLU86 4.5 12.6 1.0 OE1 A:GLN93 4.5 12.9 1.0 HG1 A:THR90 4.5 17.2 1.0 O A:HOH657 4.6 26.4 1.0 CG A:GLU86 4.6 14.4 1.0 O A:HOH533 4.6 25.0 1.0 NE2 A:GLN93 4.7 12.3 1.0 CB A:GLU89 4.8 10.1 1.0 OG1 A:THR90 4.8 14.3 1.0 HB3 A:GLU86 4.9 13.9 1.0 HG3 A:GLU89 5.0 13.2 1.0 HG3 A:GLU86 5.0 17.3 1.0 CD A:GLN93 5.0 11.4 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