Chlorine in PDB 8byd: Fragment-Linked Stabilizer For Era - 14-3-3 Interactions (1075288)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interactions (1075288), PDB code: 8byd 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)	56.09 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.81, 112.19, 62.321, 90, 90, 90
R / Rfree (%)	16.8 / 19.5

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interactions (1075288) (pdb code 8byd). 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 Interactions (1075288), PDB code: 8byd:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interactions (1075288)


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 Interactions (1075288) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:19.4 occ:1.00 CL27 A:S7I401 0.0 19.4 1.0 C26 A:S7I401 1.8 15.1 1.0 C28 A:S7I401 2.7 12.7 1.0 H281 A:S7I401 2.8 15.2 1.0 C25 A:S7I401 2.8 18.7 1.0 HE3 A:LYS122 2.9 10.5 1.0 HD3 A:LYS122 2.9 10.3 1.0 H251 A:S7I401 3.0 22.4 1.0 HA A:ILE168 3.1 11.4 1.0 HG21 A:ILE168 3.3 12.8 1.0 CD A:LYS122 3.5 8.6 1.0 CE A:LYS122 3.5 8.7 1.0 HD2 A:LYS122 3.6 10.3 1.0 HD2 A:PHE119 3.6 14.5 1.0 HZ3 A:LYS122 3.6 13.8 1.0 HG12 A:ILE168 3.6 13.7 1.0 HE2 A:PHE119 3.7 18.2 1.0 O A:HOH675 3.7 19.0 1.0 O A:HOH689 3.9 21.2 1.0 HA3 A:GLY171 3.9 10.1 1.0 HG22 B:VAL595 4.0 16.5 1.0 C29 A:S7I401 4.0 15.9 1.0 CA A:ILE168 4.0 9.5 1.0 CD2 A:PHE119 4.0 12.1 1.0 CE2 A:PHE119 4.0 15.2 1.0 NZ A:LYS122 4.0 11.5 1.0 C24 A:S7I401 4.1 18.6 1.0 CG2 A:ILE168 4.2 10.6 1.0 O A:ILE168 4.3 8.6 1.0 HZ2 A:LYS122 4.3 13.8 1.0 HE2 A:LYS122 4.4 10.5 1.0 CG1 A:ILE168 4.4 11.4 1.0 CB A:ILE168 4.4 9.7 1.0 C23 A:S7I401 4.6 22.0 1.0 O A:PRO167 4.6 8.4 1.0 H A:LEU172 4.7 8.7 1.0 C A:ILE168 4.7 7.9 1.0 HA A:PHE119 4.7 10.5 1.0 HG13 A:ILE168 4.7 13.7 1.0 HG23 A:ILE168 4.7 12.8 1.0 HG22 A:ILE168 4.7 12.8 1.0 CA A:GLY171 4.8 8.4 1.0 HZ1 A:LYS122 4.8 13.8 1.0 H291 A:S7I401 4.8 19.1 1.0 CG2 B:VAL595 4.9 13.8 1.0 H A:GLY171 4.9 8.7 1.0 N A:ILE168 4.9 8.6 1.0 N A:LEU172 4.9 7.3 1.0 CG A:LYS122 4.9 8.1 1.0 HG21 B:VAL595 5.0 16.5 1.0 H241 A:S7I401 5.0 22.3 1.0 C A:GLY171 5.0 7.0 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