Magnesium in PDB 3iqv: Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin, PDB code: 3iqv 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)	41.65 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.370, 111.750, 62.490, 90.00, 90.00, 90.00
R / Rfree (%)	12.3 / 15.3

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin (pdb code 3iqv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin, PDB code: 3iqv:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin


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 (6MER) and Stabilisator Fusicoccin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg235 b:12.5 occ:1.00 O A:GLU110 2.3 14.2 1.0 OE1 A:GLU35 2.4 19.2 1.0 O A:HOH567 2.4 24.7 1.0 OE2 A:GLU35 2.6 22.9 1.0 O A:HOH427 2.7 36.5 1.0 CD A:GLU35 2.9 18.0 1.0 C A:GLU110 3.5 12.1 1.0 N A:GLY112 4.1 14.8 1.0 O A:HOH643 4.2 34.3 1.0 CG A:GLU35 4.3 14.8 1.0 CA A:GLU110 4.4 11.8 0.3 CA A:GLU110 4.4 12.2 0.7 N A:ALA111 4.4 11.4 1.0 CB A:GLU110 4.5 11.8 0.3 CA A:ALA111 4.5 11.6 1.0 CB A:GLU110 4.6 13.5 0.7 O A:HOH553 4.6 24.2 1.0 OE1 A:GLU110 4.7 14.4 0.3 C A:ALA111 4.7 13.6 1.0 CA A:GLY112 4.8 15.7 1.0 O A:HOH379 4.9 35.0 1.0 O A:HOH300 5.0 31.4 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin


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 (6MER) and Stabilisator Fusicoccin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg236 b:9.8 occ:0.50 O A:HOH381 2.2 22.2 1.0 O A:HOH426 2.4 32.0 1.0 OE1 A:GLU2 2.4 13.0 1.0 O A:HOH443 2.6 13.4 1.0 CD A:GLU2 3.4 10.1 1.0 OE2 A:GLU2 3.8 13.1 1.0 O A:HOH437 4.3 12.5 1.0 O A:HOH447 4.4 13.2 1.0 O A:HOH400 4.6 33.4 1.0 CG A:GLU2 4.6 9.2 1.0 CA A:GLU2 4.8 6.9 1.0 N A:ARG3 4.9 7.3 1.0 CB A:GLU2 5.0 8.8 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin


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 (6MER) and Stabilisator Fusicoccin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg237 b:12.7 occ:0.50 O A:HOH403 1.9 30.3 1.0 O A:HOH391 2.0 27.0 1.0 O A:HOH413 2.2 36.1 1.0 OE2 A:GLU89 2.3 15.8 1.0 O A:HOH246 2.4 23.4 0.5 O A:HOH610 2.5 29.2 1.0 O A:HOH246 2.6 21.5 0.5 CD A:GLU89 3.4 11.3 1.0 O A:HOH653 4.0 31.6 1.0 CG A:GLU89 4.2 10.7 1.0 OE1 A:GLU89 4.3 11.0 1.0 NH1 A:ARG85 4.4 14.1 1.0 NE2 A:GLN93 4.5 10.6 1.0 O A:HOH587 4.5 27.4 1.0 O A:HOH621 4.5 30.8 1.0 CG A:GLU86 4.7 13.8 1.0 OE1 A:GLN93 4.7 15.6 1.0 CB A:GLU89 4.8 9.4 1.0 OG1 A:THR90 4.9 15.7 1.0 O A:HOH636 5.0 31.4 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human 14-3-3 Sigma in Complex with RAF1 Peptide (6MER) and Stabilisator Fusicoccin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg238 b:18.9 occ:1.00 O A:HOH402 2.3 41.4 1.0 OE1 A:GLU75 2.4 28.5 1.0 O A:HOH572 2.5 26.0 1.0 CD A:GLU75 3.6 27.1 1.0 CG A:GLU75 4.5 29.6 1.0 O A:HOH303 4.5 36.2 1.0 OE2 A:GLU75 4.5 31.3 1.0 O A:GLY73 4.7 29.0 1.0 CB A:GLU75 4.7 27.9 1.0 CA A:GLU75 5.0 25.4 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