Magnesium in PDB 3lw1: Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide

The structure of Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide, PDB code: 3lw1 was solved by B.Schumacher, J.Mondry, P.Thiel, M.Weyand, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.57 / 1.28
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.320, 112.320, 62.660, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 15.1

The structure of Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide (pdb code 3lw1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide, PDB code: 3lw1:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg249 b:12.1 occ:1.00 OE2 A:GLU188 2.3 18.7 1.0 O A:HOH510 2.3 23.5 1.0 O A:HOH608 2.4 20.4 1.0 O A:HOH639 2.4 24.0 1.0 CD A:GLU188 3.4 15.5 1.0 CG A:GLU188 3.8 15.8 1.0 O A:HOH600 4.2 31.4 1.0 OE1 A:GLU188 4.4 19.3 1.0 O A:HOH278 4.5 47.8 1.0 O A:HOH641 4.6 26.1 1.0 O A:HOH645 4.6 33.1 1.0

Magnesium binding site 2 out of 3 in the Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg250 b:15.5 occ:0.50 O A:HOH372 1.8 29.8 1.0 O A:HOH329 2.1 45.4 1.0 O A:HOH328 2.3 47.0 1.0 OE2 A:GLU89 2.3 18.9 1.0 O A:HOH300 2.4 41.9 1.0 O A:HOH314 2.6 35.6 1.0 CD A:GLU89 3.4 14.0 1.0 O A:HOH591 3.9 33.8 1.0 CG A:GLU89 4.1 13.0 1.0 OE1 A:GLU89 4.3 14.0 1.0 NH1 A:ARG85 4.4 17.9 1.0 O A:HOH537 4.4 35.2 1.0 OE1 A:GLN93 4.5 15.6 1.0 O A:HOH595 4.5 43.1 1.0 CG A:GLU86 4.6 17.0 1.0 NE2 A:GLN93 4.7 16.1 1.0 CB A:GLU89 4.7 12.2 1.0 CG2 A:THR90 4.8 11.7 0.3 OG1 A:THR90 5.0 14.7 0.7

Magnesium binding site 3 out of 3 in the Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Binary Complex of 14-3-3 Sigma and P53 PT387-Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg251 b:12.1 occ:0.50 O A:HOH274 2.2 27.7 1.0 OE1 A:GLU2 2.4 15.5 1.0 O A:HOH330 2.5 15.6 1.0 O A:HOH378 2.6 35.0 1.0 CD A:GLU2 3.4 13.1 1.0 OE2 A:GLU2 3.7 15.0 1.0 O A:HOH382 4.2 50.3 1.0 O A:HOH416 4.3 14.5 1.0 O A:HOH331 4.5 15.4 1.0 CG A:GLU2 4.6 10.8 1.0 CA A:GLU2 4.8 9.1 1.0 O A:HOH451 4.9 21.4 1.0 CB A:GLU2 4.9 10.5 1.0 N A:ARG3 5.0 8.9 1.0

B.Schumacher, J.Mondry, P.Thiel, M.Weyand, C.Ottmann. Structure of the P53 C-Terminus Bound to 14-3-3: Implications For Stabilization of the P53 Tetramer Febs Lett. V. 584 1443 2010.
ISSN: ISSN 0014-5793
PubMed: 20206173
DOI: 10.1016/J.FEBSLET.2010.02.065