Chlorine in PDB 8byy: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074395)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074395), PDB code: 8byy 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)	45.49 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.853, 112.139, 62.678, 90, 90, 90
R / Rfree (%)	16.6 / 18.6

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074395) (pdb code 8byy). 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 (1074395), PDB code: 8byy:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074395)


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 (1074395) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:30.5 occ:1.00 CL09 A:SE3401 0.0 30.5 1.0 C08 A:SE3401 1.8 26.9 1.0 O A:HOH569 2.7 29.5 1.0 C10 A:SE3401 2.8 21.1 1.0 C07 A:SE3401 2.8 26.5 1.0 HE3 A:LYS122 2.8 11.7 1.0 H101 A:SE3401 2.9 25.3 1.0 H071 A:SE3401 2.9 31.9 1.0 HD3 A:LYS122 3.0 10.5 1.0 HA A:ILE168 3.2 12.2 1.0 HG22 A:ILE168 3.4 15.0 1.0 CE A:LYS122 3.5 9.7 1.0 HZ3 A:LYS122 3.6 14.6 1.0 CD A:LYS122 3.6 8.8 1.0 O A:HOH656 3.7 18.1 1.0 HD2 A:LYS122 3.7 10.5 1.0 HD2 A:PHE119 3.7 17.9 1.0 HG12 A:ILE168 3.8 15.2 1.0 HE2 A:PHE119 3.8 19.3 1.0 NZ A:LYS122 3.9 12.2 1.0 HG23 B:VAL595 3.9 18.4 1.0 HZ2 A:LYS122 4.0 14.6 1.0 O A:HOH673 4.0 20.8 1.0 HA3 A:GLY171 4.0 11.6 1.0 C06 A:SE3401 4.1 23.2 1.0 CA A:ILE168 4.1 10.1 1.0 C11 A:SE3401 4.1 25.0 1.0 CD2 A:PHE119 4.2 14.9 1.0 CE2 A:PHE119 4.2 16.1 1.0 CG2 A:ILE168 4.3 12.5 1.0 HE2 A:LYS122 4.3 11.7 1.0 O A:ILE168 4.5 10.0 1.0 CG1 A:ILE168 4.5 12.7 1.0 CB A:ILE168 4.5 11.3 1.0 C05 A:SE3401 4.6 24.8 1.0 O A:PRO167 4.7 9.8 1.0 HG21 A:ILE168 4.7 15.0 1.0 HZ1 A:LYS122 4.7 14.6 1.0 O A:HOH776 4.8 28.1 1.0 C A:ILE168 4.8 10.1 1.0 HG13 A:ILE168 4.8 15.2 1.0 CG2 B:VAL595 4.8 15.3 1.0 HG21 B:VAL595 4.8 18.4 1.0 HA A:PHE119 4.8 12.1 1.0 H A:LEU172 4.9 10.2 1.0 HG23 A:ILE168 4.9 15.0 1.0 CA A:GLY171 4.9 9.6 1.0 H111 A:SE3401 4.9 30.0 1.0 O B:HOH602 4.9 20.4 1.0 H061 A:SE3401 4.9 27.9 1.0 CG A:LYS122 5.0 9.8 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