Chlorine in PDB 8bwx: Fragment-Linked Stabilizer For 14-3-3 and Era (1075298)

The structure of Fragment-Linked Stabilizer For 14-3-3 and Era (1075298), PDB code: 8bwx 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)	56.01 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.684, 112.024, 62.539, 90, 90, 90
R / Rfree (%)	16.4 / 18.7

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For 14-3-3 and Era (1075298) (pdb code 8bwx). 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 14-3-3 and Era (1075298), PDB code: 8bwx:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For 14-3-3 and Era (1075298)


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 14-3-3 and Era (1075298) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:29.3 occ:1.00 CL1 A:RZT401 0.0 29.3 1.0 C12 A:RZT401 1.8 24.9 1.0 C11 A:RZT401 2.7 19.1 1.0 C14 A:RZT401 2.7 24.5 1.0 H111 A:RZT401 2.8 23.0 1.0 HE3 A:LYS122 2.8 13.7 1.0 H141 A:RZT401 2.9 29.4 1.0 HD3 A:LYS122 3.0 12.7 1.0 HA A:ILE168 3.1 14.3 1.0 HG23 A:ILE168 3.4 16.3 1.0 HZ2 A:LYS122 3.4 16.0 1.0 CE A:LYS122 3.5 11.3 1.0 CD A:LYS122 3.6 10.5 1.0 HG12 A:ILE168 3.7 17.6 1.0 O A:HOH661 3.7 21.8 1.0 HD2 A:LYS122 3.7 12.7 1.0 O A:HOH679 3.8 23.6 1.0 HE2 A:PHE119 3.8 23.3 1.0 HD2 A:PHE119 3.8 19.9 1.0 NZ A:LYS122 3.9 13.3 1.0 HG23 B:VAL595 3.9 20.2 1.0 HA3 A:GLY171 4.0 13.6 1.0 C10 A:RZT401 4.0 22.8 1.0 C15 A:RZT401 4.0 22.9 1.0 CA A:ILE168 4.1 11.9 1.0 CE2 A:PHE119 4.2 19.4 1.0 HZ1 A:LYS122 4.2 16.0 1.0 CD2 A:PHE119 4.2 16.6 1.0 CG2 A:ILE168 4.3 13.5 1.0 HE2 A:LYS122 4.4 13.7 1.0 O A:ILE168 4.4 11.0 1.0 CG1 A:ILE168 4.4 14.6 1.0 CB A:ILE168 4.5 11.3 1.0 C09 A:RZT401 4.5 26.4 1.0 O A:PRO167 4.7 11.4 1.0 HZ3 A:LYS122 4.7 16.0 1.0 HG13 A:ILE168 4.7 17.6 1.0 C A:ILE168 4.8 11.0 1.0 HG22 A:ILE168 4.8 16.3 1.0 H A:LEU172 4.8 11.4 1.0 HA A:PHE119 4.8 14.0 1.0 CG2 B:VAL595 4.8 16.8 1.0 O A:HOH765 4.8 30.7 1.0 H101 A:RZT401 4.8 27.4 1.0 HG21 A:ILE168 4.9 16.3 1.0 CA A:GLY171 4.9 11.3 1.0 H151 A:RZT401 4.9 27.5 1.0 HG21 B:VAL595 4.9 20.2 1.0 CG A:LYS122 5.0 10.5 1.0 N A:ILE168 5.0 11.0 1.0 H A:GLY171 5.0 11.7 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