Magnesium in PDB 8bxm: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074397)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074397), PDB code: 8bxm 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)	56.02 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.942, 112.04, 62.481, 90, 90, 90
R / Rfree (%)	16 / 18.8

The binding sites of Magnesium atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074397) (pdb code 8bxm). 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 (1074397), PDB code: 8bxm:
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 (1074397)


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 (1074397) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:48.5 occ:1.00 O A:HOH442 2.7 14.7 1.0 O A:HOH665 2.9 31.1 1.0 O A:HOH611 2.9 35.9 1.0 HZ1 A:LYS159 3.0 51.9 1.0 O A:HOH646 3.2 35.1 1.0 O A:HOH575 3.4 32.0 1.0 NZ A:LYS159 3.8 43.2 1.0 HZ2 A:LYS159 4.1 51.9 1.0 HZ3 A:LYS159 4.1 51.9 1.0 O A:HOH523 4.2 18.6 1.0 O A:HOH431 4.2 31.2 1.0 O A:HOH659 4.3 27.7 1.0 OE2 A:GLU189 4.5 15.2 1.0 HE22 A:GLN152 4.7 23.2 1.0 O A:HOH612 4.8 24.6 1.0 HD12 A:LEU193 4.9 13.1 1.0 CE A:LYS159 4.9 36.2 1.0 HE3 A:LYS159 5.0 43.4 1.0

Magnesium binding site 2 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074397)


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 (1074397) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:11.0 occ:0.64 OE1 A:GLU2 2.3 16.2 1.0 O A:HOH441 2.3 17.3 1.0 CD A:GLU2 3.2 17.5 1.0 OE2 A:GLU2 3.5 16.3 1.0 HA A:GLU2 4.1 14.2 1.0 O A:HOH570 4.2 15.8 1.0 H A:ARG3 4.2 13.2 1.0 O A:HOH681 4.2 16.6 1.0 CG A:GLU2 4.6 12.6 1.0 HB3 A:GLU2 4.6 14.8 1.0 O A:HOH491 4.7 25.4 1.0 HG2 A:GLU2 4.8 15.2 1.0 CA A:GLU2 4.9 11.8 1.0 CB A:GLU2 4.9 12.3 1.0 N A:ARG3 5.0 10.9 1.0

Magnesium binding site 3 out of 3 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074397)


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 (1074397) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:20.9 occ:1.00 O A:HOH439 2.2 27.3 1.0 O A:HOH524 2.2 40.1 1.0 OE2 A:GLU89 2.4 18.7 1.0 OE2 A:GLU86 2.4 33.3 1.0 OE1 A:GLU86 2.5 33.9 1.0 CD A:GLU86 2.8 33.1 1.0 CD A:GLU89 3.5 13.0 1.0 HG2 A:GLU89 3.8 15.1 1.0 HH12 A:ARG85 3.9 23.3 1.0 HE22 A:GLN93 4.0 18.9 1.0 O A:HOH489 4.2 27.8 1.0 CG A:GLU89 4.2 12.6 1.0 HB3 A:GLU89 4.3 15.0 1.0 O A:HOH577 4.3 32.1 1.0 HH11 A:ARG85 4.3 23.3 1.0 CG A:GLU86 4.4 20.7 1.0 OE1 A:GLU89 4.4 14.0 1.0 HA A:GLU86 4.4 15.6 1.0 HG1 A:THR90 4.5 19.4 1.0 NH1 A:ARG85 4.5 19.4 1.0 OE1 A:GLN93 4.5 16.1 1.0 O A:HOH512 4.5 32.7 1.0 HG2 A:GLU86 4.7 24.9 1.0 NE2 A:GLN93 4.7 15.8 1.0 CB A:GLU89 4.8 12.5 1.0 HG3 A:GLU86 4.8 24.9 1.0 OG1 A:THR90 4.8 16.1 1.0 HG3 A:GLU89 5.0 15.1 1.0 CD A:GLN93 5.0 18.1 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