Chlorine in PDB 5n5r: 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1

The structure of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1, PDB code: 5n5r was solved by E.Sijbesma, S.Leysen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.74 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.962, 111.974, 62.630, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 18.2

The structure of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1 also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1 (pdb code 5n5r). 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 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1, PDB code: 5n5r:

Chlorine binding site 1 out of 1 in the 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 14-3-3 Sigma in Complex with Taz PS89 Peptide and Fragment NV1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:12.0 occ:1.00 O A:HOH630 2.9 18.5 1.0 O A:HOH611 3.0 17.6 1.0 HA A:TYR84 3.0 10.2 1.0 HD2 A:LYS87 3.2 24.7 1.0 HD1 A:TYR84 3.2 8.2 1.0 HB2 A:LYS87 3.4 13.7 1.0 HB3 A:GLU83 3.6 10.6 1.0 HB2 A:TYR84 3.8 8.1 1.0 CA A:TYR84 3.8 8.5 1.0 O A:GLU83 4.0 8.6 1.0 N A:TYR84 4.0 7.7 1.0 C A:GLU83 4.0 8.5 1.0 HB3 A:LYS87 4.1 13.7 1.0 CD A:LYS87 4.1 20.6 1.0 CD1 A:TYR84 4.1 6.8 1.0 CB A:LYS87 4.1 11.4 1.0 CB A:TYR84 4.2 6.7 1.0 HD3 A:LYS87 4.3 24.7 1.0 CB A:GLU83 4.4 8.8 1.0 HB2 A:GLU83 4.4 10.6 1.0 O A:HOH452 4.5 13.2 1.0 H A:TYR84 4.5 9.2 1.0 CG A:LYS87 4.6 17.0 1.0 HZ2 A:LYS87 4.6 40.4 1.0 CG A:TYR84 4.7 5.6 1.0 HG3 A:LYS87 4.7 20.4 1.0 CA A:GLU83 4.9 8.4 1.0 H A:LYS87 5.0 11.9 1.0

E.Sijbesma, L.Skora, S.Leysen, L.Brunsveld, U.Koch, P.Nussbaumer, W.Jahnke, C.Ottmann. Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening. Biochemistry V. 56 3972 2017.
ISSN: ISSN 1520-4995
PubMed: 28681606
DOI: 10.1021/ACS.BIOCHEM.7B00153