Chlorine in PDB 4y5i: Crystal Structure of C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA

The structure of Crystal Structure of C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA, PDB code: 4y5i was solved by S.Leysen, M.Bartel, L.Milroy, L.Brunsveld, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.13 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.105, 70.213, 129.107, 90.00, 90.00, 90.00
R / Rfree (%)	14.7 / 17.2

The binding sites of Chlorine atom in the Crystal Structure of C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA (pdb code 4y5i). 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 C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA, PDB code: 4y5i:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA


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 C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.1 occ:1.00 NZ A:LYS9 3.1 17.0 1.0 CE A:LYS9 3.7 15.5 1.0 CD A:LYS9 3.7 14.4 1.0 O A:HOH695 4.0 49.1 1.0 CZ A:PHE25 4.1 14.0 1.0 CE1 A:PHE25 4.3 14.4 1.0 CE A:MET1 4.6 18.5 1.0 CG A:LYS9 4.9 13.6 1.0 O A:HOH645 5.0 40.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA


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 C-Terminal Modified Tau Peptide-Hybrid 126B with 14-3-3SIGMA within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:21.4 occ:1.00 NZ B:LYS9 3.1 17.4 1.0 CE B:LYS9 3.7 16.9 1.0 CD B:LYS9 3.7 14.5 1.0 CZ B:PHE25 4.2 15.4 1.0 CE1 B:PHE25 4.5 14.9 1.0 CE B:MET1 4.6 18.2 1.0 CG B:LYS9 4.9 14.8 1.0

L.G.Milroy, M.Bartel, M.A.Henen, S.Leysen, J.M.Adriaans, L.Brunsveld, I.Landrieu, C.Ottmann. Stabilizer-Guided Inhibition of Protein-Protein Interactions. Angew.Chem.Int.Ed.Engl. V. 54 15720 2015.
ISSN: ESSN 1521-3773
PubMed: 26537010
DOI: 10.1002/ANIE.201507976