Magnesium in PDB 3u9x: Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins

The structure of Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins, PDB code: 3u9x was solved by P.Thiel, L.Roeglin, O.Kohlbacher, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.54 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.220, 112.140, 62.660, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 18.8

The structure of Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Magnesium atom in the Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins (pdb code 3u9x). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins, PDB code: 3u9x:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg232 b:12.3 occ:0.50 O A:HOH281 2.2 14.6 0.3 OE1 A:GLU2 2.5 18.6 1.0 O A:HOH403 2.6 18.7 1.0 O A:HOH281 2.8 28.6 0.7 CD A:GLU2 3.5 16.6 1.0 OE2 A:GLU2 3.9 16.4 1.0 O A:HOH404 4.3 12.9 1.0 O A:HOH405 4.5 46.0 1.0 O A:HOH372 4.5 13.9 1.0 CG A:GLU2 4.8 13.7 1.0 CA A:GLU2 4.9 10.0 1.0 N A:ARG3 4.9 9.5 1.0

Magnesium binding site 2 out of 2 in the Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg233 b:11.6 occ:1.00 OE1 A:GLU35 2.2 20.2 1.0 O A:HOH406 2.2 26.6 1.0 O A:GLU110 2.2 14.6 1.0 O A:HOH248 2.3 36.0 1.0 O A:HOH326 2.4 26.7 1.0 CD A:GLU35 2.8 21.1 1.0 OE2 A:GLU35 2.9 28.2 1.0 C A:GLU110 3.5 12.9 1.0 N A:GLY112 3.9 17.2 1.0 CG A:GLU35 4.3 16.1 1.0 CA A:GLU110 4.3 12.2 0.5 CA A:GLU110 4.3 12.0 0.5 N A:ALA111 4.4 12.6 1.0 CA A:ALA111 4.5 13.5 1.0 CB A:GLU110 4.5 12.1 0.5 C A:ALA111 4.6 15.8 1.0 O A:HOH397 4.6 32.1 1.0 OE1 A:GLU110 4.6 15.7 0.5 CB A:GLU110 4.6 11.7 0.5 CA A:GLY112 4.6 18.8 1.0 O A:HOH301 4.7 28.5 1.0 O A:HOH535 4.8 33.9 1.0 CL A:CL235 4.8 60.2 1.0

L.Roglin, P.Thiel, O.Kohlbacher, C.Ottmann. Covalent Attachment of Pyridoxal-Phosphate Derivatives to 14-3-3 Proteins. Proc.Natl.Acad.Sci.Usa V. 109 E1051 2012.
ISSN: ISSN 0027-8424
PubMed: 22532669
DOI: 10.1073/PNAS.1116592109