Magnesium in PDB 8byc: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075316)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075316), PDB code: 8byc 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)	66.04 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.691, 112.185, 62.196, 90, 90, 90
R / Rfree (%)	16.2 / 19.4

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075316) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075316) (pdb code 8byc). 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 (1075316), PDB code: 8byc:
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 (1075316)


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 (1075316) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:34.0 occ:1.00 O A:HOH639 2.9 24.0 1.0 O A:HOH420 3.3 15.2 1.0 O A:HOH563 3.3 36.6 1.0 HZ3 A:LYS159 4.0 49.1 1.0 HZ1 A:LYS159 4.1 49.1 1.0 O A:HOH426 4.2 18.2 1.0 O A:HOH661 4.3 32.7 1.0 O A:HOH576 4.3 23.5 1.0 NZ A:LYS159 4.5 41.0 1.0 OE2 A:GLU189 4.8 15.4 1.0 O A:HOH611 4.8 37.6 1.0 HZ2 A:LYS159 5.0 49.1 1.0

Magnesium binding site 2 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075316)


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 (1075316) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:13.8 occ:0.80 O A:HOH451 2.6 16.3 1.0 OE1 A:GLU2 2.6 17.1 1.0 O A:HOH619 2.8 39.7 1.0 CD A:GLU2 3.6 20.4 1.0 OE2 A:GLU2 4.0 15.9 1.0 HA A:GLU2 4.1 13.1 1.0 H A:ARG3 4.1 12.9 1.0 O A:HOH572 4.5 15.0 1.0 O A:HOH660 4.5 17.2 1.0 CG A:GLU2 4.8 14.5 1.0 HB3 A:GLU2 4.9 15.1 1.0 N A:ARG3 4.9 10.8 1.0 CA A:GLU2 4.9 11.0 1.0

Magnesium binding site 3 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075316)


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 (1075316) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:23.7 occ:1.00 O A:HOH423 2.2 24.7 1.0 O A:HOH595 2.4 32.8 1.0 OE2 A:GLU89 2.4 17.8 1.0 CD A:GLU89 3.5 13.5 1.0 HG2 A:GLU89 3.8 13.8 1.0 HG2 A:GLU86 3.8 19.6 1.0 HH12 A:ARG85 3.9 21.6 1.0 HE22 A:GLN93 4.0 18.9 1.0 O A:HOH509 4.1 29.3 1.0 CG A:GLU89 4.2 11.5 1.0 HB3 A:GLU89 4.3 12.0 1.0 HH11 A:ARG85 4.3 21.6 1.0 O A:HOH577 4.3 34.6 1.0 O A:HOH609 4.3 37.8 1.0 OE1 A:GLU89 4.4 11.8 1.0 OE1 A:GLN93 4.4 14.9 1.0 HA A:GLU86 4.4 14.8 1.0 NH1 A:ARG85 4.5 18.1 1.0 HG1 A:THR90 4.5 19.7 1.0 HB3 A:GLU86 4.6 14.6 1.0 NE2 A:GLN93 4.7 15.8 1.0 CG A:GLU86 4.7 16.3 1.0 CB A:GLU89 4.8 10.0 1.0 OG1 A:THR90 4.8 16.5 1.0 CD A:GLN93 5.0 17.7 1.0 HG3 A:GLU89 5.0 13.8 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