Chlorine in PDB 8byf: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047455)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047455), PDB code: 8byf was solved by E.J.Visser, E.Sijbesma, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.20 / 1.65
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.787, 112.194, 62.391, 90, 90, 90
R / Rfree (%)	16.9 / 20.2

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047455) (pdb code 8byf). 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 (1047455), PDB code: 8byf:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047455)


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 (1047455) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:20.8 occ:1.00 CL A:S6X401 0.0 20.8 1.0 C16 A:S6X401 1.7 17.4 1.0 C17 A:S6X401 2.7 10.6 1.0 C15 A:S6X401 2.7 19.3 1.0 H15 A:S6X401 2.8 12.7 1.0 H14 A:S6X401 2.8 23.1 1.0 HE3 A:LYS122 2.9 10.6 1.0 HD3 A:LYS122 3.0 9.3 1.0 HA A:ILE168 3.2 12.1 1.0 HG23 A:ILE168 3.3 14.2 1.0 HZ1 A:LYS122 3.5 12.5 1.0 CE A:LYS122 3.5 8.8 1.0 CD A:LYS122 3.5 7.7 1.0 HD2 A:LYS122 3.6 9.3 1.0 O A:HOH690 3.7 19.2 1.0 HE2 A:PHE119 3.7 15.4 1.0 HD2 A:PHE119 3.7 11.4 1.0 O A:HOH676 3.8 20.6 1.0 HG12 A:ILE168 3.8 16.1 1.0 NZ A:LYS122 4.0 10.4 1.0 HG23 B:VAL595 4.0 16.8 1.0 C18 A:S6X401 4.0 16.8 1.0 C14 A:S6X401 4.0 19.2 1.0 HA3 A:GLY171 4.0 9.8 1.0 CE2 A:PHE119 4.1 12.9 1.0 CD2 A:PHE119 4.1 9.5 1.0 CA A:ILE168 4.1 10.1 1.0 CG2 A:ILE168 4.2 11.8 1.0 HZ3 A:LYS122 4.3 12.5 1.0 HE2 A:LYS122 4.4 10.6 1.0 O A:ILE168 4.5 8.7 1.0 C13 A:S6X401 4.5 24.4 1.0 CB A:ILE168 4.5 11.3 1.0 CG1 A:ILE168 4.5 13.4 1.0 O A:HOH785 4.7 34.7 1.0 HG22 A:ILE168 4.7 14.2 1.0 HZ2 A:LYS122 4.7 12.5 1.0 O A:PRO167 4.7 9.6 1.0 HA A:PHE119 4.8 11.6 1.0 HG21 A:ILE168 4.8 14.2 1.0 H A:LEU172 4.8 10.4 1.0 C A:ILE168 4.8 7.5 1.0 H16 A:S6X401 4.8 20.1 1.0 H13 A:S6X401 4.8 23.1 1.0 CG2 B:VAL595 4.9 14.0 1.0 CA A:GLY171 4.9 8.2 1.0 HG21 B:VAL595 4.9 16.8 1.0 O B:HOH601 4.9 25.9 1.0 HG13 A:ILE168 4.9 16.1 1.0 CG A:LYS122 5.0 7.4 1.0 H A:GLY171 5.0 11.1 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