Chlorine in PDB 8bye: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075313)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075313), PDB code: 8bye 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)	45.34 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.772, 111.967, 62.371, 90, 90, 90
R / Rfree (%)	17.4 / 20.7

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075313) (pdb code 8bye). 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 (1075313), PDB code: 8bye:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075313)


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 (1075313) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:28.1 occ:1.00 CL26 A:RY0401 0.0 28.1 1.0 C25 A:RY0401 1.8 22.9 1.0 C27 A:RY0401 2.6 21.1 1.0 H271 A:RY0401 2.7 25.3 1.0 C24 A:RY0401 2.8 27.1 1.0 HE3 A:LYS122 3.0 16.6 1.0 H241 A:RY0401 3.0 32.5 1.0 HD3 A:LYS122 3.0 15.7 1.0 HA A:ILE168 3.1 16.9 1.0 HG23 A:ILE168 3.4 17.4 1.0 HZ2 A:LYS122 3.5 18.6 1.0 HD2 A:LYS122 3.5 15.7 1.0 CD A:LYS122 3.6 13.0 1.0 CE A:LYS122 3.6 13.8 1.0 HE2 A:PHE119 3.7 20.9 1.0 HD2 A:PHE119 3.7 18.6 1.0 HG12 A:ILE168 3.7 19.1 1.0 HG22 B:VAL595 3.8 21.6 1.0 HA3 A:GLY171 3.8 14.7 1.0 C28 A:RY0401 3.9 27.2 1.0 NZ A:LYS122 4.0 15.5 1.0 CA A:ILE168 4.0 14.1 1.0 CE2 A:PHE119 4.0 17.4 1.0 C23 A:RY0401 4.1 27.8 1.0 CD2 A:PHE119 4.1 15.5 1.0 O A:HOH515 4.1 28.6 1.0 CG2 A:ILE168 4.3 14.5 1.0 O A:ILE168 4.3 13.0 1.0 HZ1 A:LYS122 4.4 18.6 1.0 HE2 A:LYS122 4.5 16.6 1.0 C22 A:RY0401 4.5 29.0 1.0 CG1 A:ILE168 4.5 15.9 1.0 CB A:ILE168 4.5 12.0 1.0 O A:PRO167 4.6 12.9 1.0 H A:LEU172 4.7 12.7 1.0 CA A:GLY171 4.7 12.2 1.0 C A:ILE168 4.7 11.2 1.0 CG2 B:VAL595 4.7 18.0 1.0 HZ3 A:LYS122 4.7 18.6 1.0 H281 A:RY0401 4.7 32.7 1.0 HA A:PHE119 4.8 12.2 1.0 HG22 A:ILE168 4.8 17.4 1.0 H A:GLY171 4.8 14.3 1.0 HG13 A:ILE168 4.8 19.1 1.0 HG21 A:ILE168 4.9 17.4 1.0 HG21 B:VAL595 4.9 21.6 1.0 N A:LEU172 4.9 10.6 1.0 N A:ILE168 4.9 13.0 1.0 C A:GLY171 4.9 11.3 1.0 H231 A:RY0401 5.0 33.4 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