Chlorine in PDB 8byo: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361), PDB code: 8byo 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)	34.23 / 1.20
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.839, 112.354, 62.477, 90, 90, 90
R / Rfree (%)	16.4 / 17.1

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) also contains other interesting chemical elements:

Magnesium	(Mg)	3 atoms
Fluorine	(F)	1 atom

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361) (pdb code 8byo). 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 (1074361), PDB code: 8byo:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074361)


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 (1074361) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:24.1 occ:1.00 CL26 A:U0L304 0.0 24.1 1.0 C25 A:U0L304 1.8 17.2 1.0 C24 A:U0L304 2.7 20.6 1.0 C27 A:U0L304 2.7 18.1 1.0 H241 A:U0L304 2.8 24.7 1.0 HE3 A:LYS122 2.8 11.3 1.0 HD3 A:LYS122 2.9 10.6 1.0 F28 A:U0L304 3.0 26.8 1.0 HA A:ILE168 3.1 11.3 1.0 HG23 A:ILE168 3.2 14.9 1.0 CD A:LYS122 3.5 8.8 1.0 CE A:LYS122 3.5 9.4 1.0 HD2 A:LYS122 3.5 10.6 1.0 HZ3 A:LYS122 3.6 12.2 1.0 HG12 A:ILE168 3.6 14.5 1.0 O A:HOH577 3.7 18.7 1.0 O A:HOH606 3.8 16.8 1.0 HD2 A:PHE119 3.8 15.2 1.0 HE2 A:PHE119 3.9 17.6 1.0 C23 A:U0L304 4.0 18.5 1.0 HA3 A:GLY171 4.0 9.8 1.0 CA A:ILE168 4.0 9.4 1.0 C29 A:U0L304 4.0 19.4 1.0 NZ A:LYS122 4.0 10.2 1.0 HG22 B:VAL595 4.0 16.2 1.0 CG2 A:ILE168 4.1 12.4 1.0 CD2 A:PHE119 4.2 12.6 1.0 O A:HOH458 4.3 19.4 1.0 CE2 A:PHE119 4.3 14.6 1.0 HE2 A:LYS122 4.3 11.3 1.0 O A:ILE168 4.4 9.2 1.0 HZ2 A:LYS122 4.4 12.2 1.0 CB A:ILE168 4.4 10.4 1.0 CG1 A:ILE168 4.4 12.1 1.0 C22 A:U0L304 4.5 19.2 1.0 HG22 A:ILE168 4.6 14.9 1.0 O A:HOH699 4.6 22.5 1.0 HG21 A:ILE168 4.6 14.9 1.0 C A:ILE168 4.7 8.6 1.0 H231 A:U0L304 4.7 22.2 1.0 H A:LEU172 4.7 8.9 1.0 O A:PRO167 4.7 9.4 1.0 HA A:PHE119 4.7 10.3 1.0 H291 A:U0L304 4.7 23.2 1.0 HZ1 A:LYS122 4.8 12.2 1.0 HG13 A:ILE168 4.8 14.5 1.0 CA A:GLY171 4.8 8.2 1.0 N A:ILE168 4.9 8.7 1.0 H A:GLY171 4.9 9.8 1.0 CG A:LYS122 4.9 8.1 1.0 CG2 B:VAL595 4.9 13.5 1.0 N A:LEU172 5.0 7.4 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