Chlorine in PDB 3p1n: Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide, PDB code: 3p1n was solved by C.Anders, Y.Higuchi, B.Schumacher, P.Thiel, N.Kato, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.50 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.220, 112.050, 62.510, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17.4

The structure of Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide (pdb code 3p1n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide, PDB code: 3p1n:

Chlorine binding site 1 out of 1 in the Crystal Structure of Human 14-3-3 Sigma in Complex with Task-3 Peptide


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 Task-3 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl250 b:16.2 occ:1.00 O A:HOH514 3.0 26.4 1.0 O A:HOH483 3.1 22.6 1.0 CA A:TYR84 3.8 9.4 1.0 CD A:LYS87 3.8 18.3 0.8 O A:GLU83 3.9 10.5 1.0 CB A:LYS87 4.0 14.2 0.8 N A:TYR84 4.0 9.7 1.0 C A:GLU83 4.0 10.0 1.0 CB A:LYS87 4.0 11.8 0.2 CD1 A:TYR84 4.1 11.8 1.0 CB A:TYR84 4.2 10.8 1.0 CB A:GLU83 4.3 11.6 1.0 CG A:LYS87 4.5 14.1 0.8 CG A:LYS87 4.6 11.1 0.2 CG A:TYR84 4.6 9.8 1.0 O A:HOH614 4.6 19.7 1.0 CA A:GLU83 4.9 10.7 1.0 NZ A:LYS87 4.9 30.8 0.8

C.Anders, Y.Higuchi, K.Koschinsky, M.Bartel, B.Schumacher, P.Thiel, H.Nitta, R.Preisig-Muller, G.Schlichthorl, V.Renigunta, J.Ohkanda, J.Daut, N.Kato, C.Ottmann. A Semisynthetic Fusicoccane Stabilizes A Protein-Protein Interaction and Enhances the Expression of K+ Channels at the Cell Surface Chem. Biol. V. 20 583 2013.
ISSN: ISSN 1879-1301
PubMed: 23601647
DOI: 10.1016/J.CHEMBIOL.2013.03.015