Chlorine 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:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine 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 Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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:Cl233 b:12.7 occ:1.00 O A:HOH535 3.0 22.4 1.0 O A:HOH333 3.1 20.0 1.0 CD A:LYS87 3.7 17.7 0.5 CA A:TYR84 3.9 8.2 1.0 O A:GLU83 3.9 8.9 1.0 CD A:LYS87 3.9 13.9 0.5 N A:TYR84 4.0 8.5 1.0 C A:GLU83 4.0 8.6 1.0 CB A:LYS87 4.1 11.1 0.5 CB A:LYS87 4.1 11.1 0.5 CD1 A:TYR84 4.2 11.4 1.0 CB A:GLU83 4.3 8.7 1.0 CB A:TYR84 4.4 8.8 1.0 CG A:LYS87 4.5 13.8 0.5 CG A:LYS87 4.5 13.5 0.5 O A:HOH481 4.6 17.0 1.0 CG A:TYR84 4.8 9.5 1.0 NZ A:LYS87 4.8 24.6 0.5 CA A:GLU83 4.9 8.7 1.0 CE A:LYS87 4.9 21.7 0.5

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl 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:Cl234 b:51.8 occ:1.00 O A:HOH393 3.1 40.1 1.0 CD A:LYS160 3.2 21.9 0.5 O A:HOH613 3.6 30.0 1.0 C A:ASP156 3.6 9.8 1.0 O A:ASP156 3.6 11.6 1.0 N A:ILE157 3.7 9.5 1.0 CA A:ILE157 3.8 9.0 1.0 CB A:ASP156 3.9 12.0 1.0 CG1 A:ILE157 3.9 11.0 1.0 CD A:LYS160 4.1 23.2 0.5 CG A:LYS160 4.3 16.1 0.5 CA A:ASP156 4.4 10.2 1.0 CB A:ILE157 4.4 9.4 1.0 O A:HOH313 4.5 35.2 1.0 CB A:LYS160 4.7 14.3 0.5 CB A:LYS160 4.8 14.0 0.5 O A:HOH548 4.8 23.4 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