Chlorine in PDB 8by9: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075292)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075292), PDB code: 8by9 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)	45.56 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.019, 111.881, 62.836, 90, 90, 90
R / Rfree (%)	16.6 / 19.1

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075292) also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075292) (pdb code 8by9). 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 (1075292), PDB code: 8by9:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1075292)


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 (1075292) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:40.5 occ:1.00 CL30 A:S86401 0.0 40.5 1.0 C29 A:S86401 1.8 34.2 1.0 HD22 A:LEU218 2.7 34.0 1.0 C28 A:S86401 2.7 35.8 1.0 HB3 A:LEU218 2.7 22.6 1.0 C31 A:S86401 2.7 30.6 1.0 HD13 A:LEU218 2.8 37.6 1.0 H281 A:S86401 2.8 43.0 1.0 H311 A:S86401 2.9 36.8 1.0 HA A:ASP215 3.1 26.7 1.0 HG13 A:ILE219 3.3 20.9 1.0 CD2 A:LEU218 3.5 28.4 1.0 CB A:LEU218 3.5 18.8 1.0 O A:ASP215 3.5 20.3 1.0 CD1 A:LEU218 3.6 31.3 1.0 CG A:LEU218 3.7 27.2 1.0 HD21 A:LEU218 3.7 34.0 1.0 HB2 A:LEU218 3.7 22.6 1.0 HD13 A:ILE219 3.8 25.8 1.0 CA A:ASP215 3.9 22.2 1.0 C27 A:S86401 4.0 25.6 1.0 C32 A:S86401 4.0 18.0 1.0 HB3 A:ASP215 4.0 26.0 1.0 CG1 A:ILE219 4.1 17.4 1.0 OD1 A:ASP215 4.1 34.1 1.0 HD11 A:LEU218 4.2 37.6 1.0 C A:ASP215 4.2 20.4 1.0 HD12 A:LEU218 4.2 37.6 1.0 HD23 A:LEU218 4.2 34.0 1.0 HG12 A:ILE219 4.3 20.9 1.0 CB A:ASP215 4.4 21.6 1.0 CD1 A:ILE219 4.4 21.5 1.0 H A:ILE219 4.4 17.1 1.0 C26 A:S86401 4.5 18.1 1.0 CG A:ASP215 4.5 34.5 1.0 HG A:LEU218 4.6 32.7 1.0 HD11 A:ILE219 4.7 25.8 1.0 N A:ILE219 4.8 14.3 1.0 CA A:LEU218 4.8 17.1 1.0 H271 A:S86401 4.9 30.7 1.0 H321 A:S86401 4.9 21.7 1.0 H A:LEU218 4.9 17.3 1.0 O A:LYS214 4.9 21.1 1.0 C A:LEU218 5.0 14.8 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