Magnesium in PDB 8c04: Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)

The structure of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354), PDB code: 8c04 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)	45.24 / 1.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.819, 111.877, 62.102, 90, 90, 90
R / Rfree (%)	18 / 19.7

The structure of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) (pdb code 8c04). 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-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354), PDB code: 8c04:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:30.4 occ:1.00 O A:HOH454 2.6 12.9 1.0 O A:HOH597 3.0 21.5 1.0 O A:HOH686 3.1 27.0 1.0 O A:HOH502 3.5 24.1 1.0 HZ2 A:LYS159 3.8 36.8 1.0 HZ1 A:LYS159 4.1 36.8 1.0 O A:HOH514 4.2 15.0 1.0 HE22 A:GLN152 4.2 18.9 1.0 NZ A:LYS159 4.4 30.6 1.0 OE2 A:GLU189 4.4 11.4 1.0 O A:HOH421 4.7 27.9 1.0 HZ3 A:LYS159 4.9 36.8 1.0

Magnesium binding site 2 out of 3 in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:10.1 occ:0.04 HA A:GLU2 1.6 11.4 1.0 H A:ARG3 1.7 10.6 1.0 OE1 A:GLU2 2.3 14.0 1.0 N A:ARG3 2.3 8.8 1.0 CA A:GLU2 2.4 9.5 1.0 C A:GLU2 2.8 8.6 1.0 O A:HOH412 2.8 5.8 0.5 HB3 A:GLU2 3.1 11.6 1.0 CB A:GLU2 3.2 9.6 1.0 CD A:GLU2 3.3 12.8 1.0 O A:HOH616 3.4 24.1 1.0 HB2 A:ARG3 3.5 10.9 1.0 HE3 A:LYS32 3.5 12.1 1.0 N A:GLU2 3.6 8.8 1.0 CG A:GLU2 3.6 10.5 1.0 CA A:ARG3 3.6 8.7 1.0 O A:HOH585 3.6 14.8 1.0 O A:MET1 3.7 9.8 1.0 HG2 A:GLU2 3.8 12.6 1.0 CB A:ARG3 3.9 9.1 1.0 HB3 A:ARG3 3.9 10.9 1.0 O A:GLU2 4.0 9.3 1.0 HZ2 A:LYS32 4.0 13.7 1.0 C A:MET1 4.1 9.2 1.0 HB2 A:GLU2 4.1 11.6 1.0 HA A:ARG3 4.1 10.4 1.0 HD2 A:LYS32 4.1 11.8 1.0 H A:ALA4 4.2 11.0 1.0 H A:GLU2 4.2 10.6 1.0 CE A:LYS32 4.3 10.1 1.0 OE2 A:GLU2 4.4 13.5 1.0 NZ A:LYS32 4.5 11.4 1.0 HG3 A:GLU2 4.5 12.6 1.0 HZ1 A:LYS32 4.6 13.7 1.0 HG3 A:LYS32 4.7 12.2 1.0 C A:ARG3 4.7 9.2 1.0 N A:ALA4 4.7 9.2 1.0 CD A:LYS32 4.7 9.8 1.0

Magnesium binding site 3 out of 3 in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:21.0 occ:1.00 O A:HOH449 2.1 27.3 1.0 OE2 A:GLU89 2.3 16.8 1.0 CD A:GLU89 3.4 11.8 1.0 HG2 A:GLU89 3.7 15.2 1.0 HG2 A:GLU86 3.8 17.5 1.0 HH12 A:ARG85 4.0 18.8 1.0 HE22 A:GLN93 4.0 17.4 1.0 CG A:GLU89 4.1 12.7 1.0 OE1 A:GLU89 4.3 12.5 1.0 HH11 A:ARG85 4.3 18.8 1.0 HB3 A:GLU89 4.4 12.8 1.0 O A:HOH586 4.4 29.6 1.0 OE1 A:GLN93 4.5 13.6 1.0 NH1 A:ARG85 4.5 15.7 1.0 HA A:GLU86 4.5 13.3 1.0 HG1 A:THR90 4.6 19.9 1.0 O A:HOH630 4.6 29.8 1.0 NE2 A:GLN93 4.7 14.5 1.0 CG A:GLU86 4.7 14.6 1.0 HB3 A:GLU86 4.7 14.8 1.0 CB A:GLU89 4.8 10.6 1.0 HG3 A:GLU89 4.9 15.2 1.0 OG1 A:THR90 4.9 16.6 1.0 CD A:GLN93 5.0 12.6 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