Chlorine in PDB 8c0k: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075302)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075302), PDB code: 8c0k 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)	66.13 / 1.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.839, 112.255, 62.9, 90, 90, 90
R / Rfree (%)	17.4 / 18.4

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075302) also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075302) (pdb code 8c0k). 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 (1075302), PDB code: 8c0k:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075302)


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 (1075302) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:26.8 occ:1.00 CL28 A:SOI304 0.0 26.8 1.0 C27 A:SOI304 1.8 17.5 1.0 C26 A:SOI304 2.7 20.0 1.0 C29 A:SOI304 2.7 22.8 1.0 HE3 A:LYS122 2.8 13.3 1.0 H261 A:SOI304 2.9 24.0 1.0 H291 A:SOI304 2.9 27.3 1.0 HA A:ILE168 3.1 13.5 1.0 HD3 A:LYS122 3.1 13.4 1.0 HG23 A:ILE168 3.5 15.5 1.0 CE A:LYS122 3.5 11.1 1.0 HZ2 A:LYS122 3.6 18.6 1.0 HG23 B:VAL595 3.7 21.2 1.0 CD A:LYS122 3.7 11.2 1.0 HG12 A:ILE168 3.7 16.7 1.0 HA3 A:GLY171 3.7 11.4 1.0 HD2 A:LYS122 3.8 13.4 1.0 O A:HOH525 3.9 21.5 1.0 HE2 A:PHE119 4.0 21.6 1.0 CA A:ILE168 4.0 11.3 1.0 NZ A:LYS122 4.0 15.5 1.0 C25 A:SOI304 4.0 23.5 1.0 C30 A:SOI304 4.0 23.2 1.0 O A:HOH545 4.0 21.4 1.0 HD2 A:PHE119 4.1 19.8 1.0 HZ1 A:LYS122 4.2 18.6 1.0 HE2 A:LYS122 4.3 13.3 1.0 CG2 A:ILE168 4.3 12.9 1.0 O A:ILE168 4.4 10.9 1.0 CG1 A:ILE168 4.4 13.9 1.0 CE2 A:PHE119 4.4 18.0 1.0 O A:PRO167 4.5 10.6 1.0 CB A:ILE168 4.5 10.8 1.0 CD2 A:PHE119 4.5 16.5 1.0 HG21 B:VAL595 4.5 21.2 1.0 CG2 B:VAL595 4.5 17.6 1.0 C24 A:SOI304 4.6 26.5 1.0 HG13 A:ILE168 4.6 16.7 1.0 CA A:GLY171 4.6 9.5 1.0 O A:HOH621 4.7 25.5 1.0 C A:ILE168 4.7 9.8 1.0 H A:LEU172 4.7 10.5 1.0 H A:GLY171 4.8 11.6 1.0 HG21 A:ILE168 4.8 15.5 1.0 HZ3 A:LYS122 4.8 18.6 1.0 N A:ILE168 4.9 9.9 1.0 H251 A:SOI304 4.9 28.2 1.0 H301 A:SOI304 4.9 27.9 1.0 C A:GLY171 4.9 9.2 1.0 N A:LEU172 5.0 8.7 1.0 HG22 A:ILE168 5.0 15.5 1.0 O B:HOH601 5.0 36.1 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