Chlorine in PDB 8bxs: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075293)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075293), PDB code: 8bxs 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)	41.75 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.05, 112.346, 62.415, 90, 90, 90
R / Rfree (%)	16.5 / 19.1

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075293) (pdb code 8bxs). 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 (1075293), PDB code: 8bxs:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075293)


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 (1075293) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:21.1 occ:1.00 CL1 A:S2E301 0.0 21.1 1.0 C27 A:S2E301 1.8 18.5 1.0 C29 A:S2E301 2.7 13.9 1.0 C26 A:S2E301 2.7 16.6 1.0 HE3 A:LYS122 2.7 11.9 1.0 H291 A:S2E301 2.9 16.7 1.0 H261 A:S2E301 2.9 19.9 1.0 HD3 A:LYS122 3.0 11.6 1.0 HA A:ILE168 3.2 12.5 1.0 HG22 A:ILE168 3.4 14.3 1.0 CE A:LYS122 3.4 9.9 1.0 HZ2 A:LYS122 3.5 14.1 1.0 CD A:LYS122 3.5 9.6 1.0 HD2 A:LYS122 3.6 11.6 1.0 HG12 A:ILE168 3.7 15.5 1.0 O A:HOH574 3.8 20.1 1.0 HG21 B:VAL595 3.8 17.1 1.0 HE2 A:PHE119 3.8 21.2 1.0 HA3 A:GLY171 3.9 11.9 1.0 O A:HOH580 3.9 19.8 1.0 NZ A:LYS122 3.9 11.8 1.0 HD2 A:PHE119 3.9 17.1 1.0 C30 A:S2E301 4.0 16.4 1.0 C25 A:S2E301 4.0 16.7 1.0 CA A:ILE168 4.1 10.4 1.0 HZ1 A:LYS122 4.2 14.1 1.0 CE2 A:PHE119 4.3 17.7 1.0 HE2 A:LYS122 4.3 11.9 1.0 CG2 A:ILE168 4.3 11.9 1.0 CD2 A:PHE119 4.3 14.2 1.0 O A:ILE168 4.4 9.6 1.0 CG1 A:ILE168 4.5 12.9 1.0 CB A:ILE168 4.5 10.2 1.0 C24 A:S2E301 4.5 17.9 1.0 CG2 B:VAL595 4.7 14.2 1.0 O A:PRO167 4.7 9.3 1.0 HZ3 A:LYS122 4.7 14.1 1.0 CA A:GLY171 4.7 9.9 1.0 HG22 B:VAL595 4.8 17.1 1.0 H A:LEU172 4.8 9.6 1.0 C A:ILE168 4.8 9.9 1.0 O A:HOH657 4.8 23.9 1.0 HG21 A:ILE168 4.8 14.3 1.0 HG13 A:ILE168 4.8 15.5 1.0 HG23 A:ILE168 4.8 14.3 1.0 H301 A:S2E301 4.9 19.7 1.0 H251 A:S2E301 4.9 20.1 1.0 HA A:PHE119 4.9 11.7 1.0 H A:GLY171 4.9 9.8 1.0 CG A:LYS122 5.0 8.1 1.0 C A:GLY171 5.0 7.7 1.0 N A:LEU172 5.0 8.0 1.0 O B:HOH601 5.0 22.8 1.0 N A:ILE168 5.0 9.6 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