Magnesium in PDB 3iqj: Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER)

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER), PDB code: 3iqj was solved by C.Ottmann, M.Weyand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.49 / 1.15
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.610, 112.560, 62.680, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 15.3

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER) also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER) (pdb code 3iqj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER), PDB code: 3iqj:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg264 b:18.1 occ:0.70 O A:HOH346 1.7 26.8 1.0 O A:HOH338 2.0 34.2 1.0 OE2 A:GLU89 2.3 19.0 1.0 O A:HOH238 2.4 33.2 1.0 O A:HOH416 2.4 31.0 1.0 O A:HOH417 2.5 39.2 1.0 O A:HOH367 2.5 33.1 1.0 CD A:GLU89 3.4 13.4 1.0 O A:HOH560 4.0 30.2 1.0 CG A:GLU89 4.1 13.1 1.0 OE1 A:GLU89 4.3 13.5 1.0 NH1 A:ARG85 4.4 17.9 1.0 O A:HOH247 4.5 28.8 1.0 OE1 A:GLN93 4.5 14.7 1.0 CG A:GLU86 4.7 16.4 1.0 O A:HOH545 4.7 36.3 1.0 NE2 A:GLN93 4.7 16.3 1.0 CB A:GLU89 4.8 11.5 1.0 OG1 A:THR90 4.9 16.7 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg265 b:10.8 occ:0.50 O A:HOH362 2.3 23.2 1.0 OE1 A:GLU2 2.4 13.9 1.0 O A:HOH626 2.6 13.8 1.0 CD A:GLU2 3.4 12.1 1.0 OE2 A:GLU2 3.8 13.1 1.0 O A:HOH359 4.3 13.3 1.0 O A:HOH404 4.5 14.0 1.0 O A:HOH375 4.6 34.2 1.0 CG A:GLU2 4.7 10.6 1.0 CA A:GLU2 4.9 8.2 1.0 N A:ARG3 5.0 8.4 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (10MER) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg266 b:10.3 occ:1.00 OE2 A:GLU188 2.3 16.0 1.0 O A:HOH453 2.3 18.2 1.0 O A:HOH459 2.4 19.7 1.0 CD A:GLU188 3.4 13.4 1.0 CG A:GLU188 3.8 13.7 1.0 OE1 A:GLU188 4.4 15.8 1.0 O A:HOH474 4.6 23.3 1.0 O A:HOH556 4.6 29.4 1.0

M.Molzan, B.Schumacher, C.Ottmann, A.Baljuls, L.Polzien, M.Weyand, P.Thiel, R.Rose, M.Rose, P.Kuhenne, M.Kaiser, U.R.Rapp, J.Kuhlmann, C.Ottmann. Impaired Binding of 14-3-3 to C-Raf in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling. Mol.Cell.Biol. V. 30 4698 2010.
ISSN: ISSN 0270-7306
PubMed: 20679480
DOI: 10.1128/MCB.01636-09