Chlorine in PDB 8byb: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074398)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074398), PDB code: 8byb was solved by E.J.Visser, E.M.F.Vandenboorn, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.01 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.684, 112.024, 62.539, 90, 90, 90
R / Rfree (%)	16.4 / 18.6

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074398) (pdb code 8byb). 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 Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074398), PDB code: 8byb:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074398)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074398) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:28.6 occ:1.00 CL28 A:S8O401 0.0 28.6 1.0 C27 A:S8O401 1.8 24.1 1.0 C26 A:S8O401 2.7 18.5 1.0 C29 A:S8O401 2.7 23.5 1.0 HE3 A:LYS122 2.8 13.7 1.0 H261 A:S8O401 2.9 22.2 1.0 H291 A:S8O401 2.9 28.3 1.0 HD3 A:LYS122 2.9 12.7 1.0 HA A:ILE168 3.1 14.0 1.0 HG23 A:ILE168 3.4 16.4 1.0 HZ2 A:LYS122 3.4 16.0 1.0 CE A:LYS122 3.5 11.4 1.0 CD A:LYS122 3.5 10.5 1.0 HD2 A:LYS122 3.7 12.7 1.0 O A:HOH653 3.7 22.3 1.0 HG12 A:ILE168 3.7 17.2 1.0 HE2 A:PHE119 3.8 22.5 1.0 O A:HOH671 3.8 23.8 1.0 HD2 A:PHE119 3.8 19.5 1.0 HG22 B:VAL595 3.9 20.2 1.0 NZ A:LYS122 3.9 13.3 1.0 O A:HOH564 4.0 28.5 1.0 HA3 A:GLY171 4.0 13.1 1.0 C30 A:S8O401 4.0 21.8 1.0 C25 A:S8O401 4.1 22.2 1.0 CA A:ILE168 4.1 11.6 1.0 CE2 A:PHE119 4.2 18.7 1.0 HZ1 A:LYS122 4.2 16.0 1.0 CD2 A:PHE119 4.2 16.2 1.0 CG2 A:ILE168 4.3 13.6 1.0 HE2 A:LYS122 4.3 13.7 1.0 O A:ILE168 4.4 10.7 1.0 CG1 A:ILE168 4.5 14.3 1.0 CB A:ILE168 4.5 11.5 1.0 C24 A:S8O401 4.6 26.1 1.0 HZ3 A:LYS122 4.7 16.0 1.0 O A:PRO167 4.7 11.2 1.0 HG13 A:ILE168 4.7 17.2 1.0 C A:ILE168 4.8 11.0 1.0 HG22 A:ILE168 4.8 16.4 1.0 H A:LEU172 4.8 11.1 1.0 CG2 B:VAL595 4.8 16.8 1.0 HA A:PHE119 4.8 14.3 1.0 CA A:GLY171 4.8 10.9 1.0 HG21 A:ILE168 4.8 16.4 1.0 O A:HOH769 4.9 29.9 1.0 HG21 B:VAL595 4.9 20.2 1.0 H251 A:S8O401 4.9 26.7 1.0 H301 A:S8O401 4.9 26.2 1.0 CG A:LYS122 5.0 10.8 1.0 N A:ILE168 5.0 10.6 1.0 H A:GLY171 5.0 11.3 1.0 O B:HOH601 5.0 25.1 1.0

E.J.Visser, P.Jaishankar, E.Sijbesma, M.A.M.Pennings, E.M.F.Vandenboorn, X.Guillory, R.J.Neitz, J.Morrow, S.Dutta, A.R.Renslo, L.Brunsveld, M.R.Arkin, C.Ottmann. From Tethered to Freestanding Stabilizers of 14-3-3 Protein-Protein Interactions Via Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004