Chlorine in PDB 8byg: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047648)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047648), PDB code: 8byg was solved by E.J.Visser, E.Sijbesma, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.12 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.167, 112.522, 62.623, 90, 90, 90
R / Rfree (%)	17.8 / 22

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047648) (pdb code 8byg). 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 (1047648), PDB code: 8byg:

Chlorine binding site 1 out of 1 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1047648)


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 (1047648) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:44.9 occ:0.78 CL A:S6O401 0.0 44.9 0.8 C14 A:S6O401 1.7 31.9 0.8 O A:HOH590 2.7 32.2 1.0 C15 A:S6O401 2.7 28.5 0.8 C13 A:S6O401 2.7 15.6 0.8 H16 A:S6O401 2.8 34.1 0.8 H15 A:S6O401 2.8 18.8 0.8 HZ1 A:LYS122 2.9 14.7 1.0 HE3 A:LYS122 3.1 14.3 1.0 O B:HOH601 3.4 20.4 1.0 NZ A:LYS122 3.5 12.3 1.0 HD3 A:LYS122 3.6 12.4 1.0 HZ3 A:LYS122 3.6 14.7 1.0 HG23 B:VAL595 3.6 18.5 1.0 HE2 A:PHE119 3.6 19.5 1.0 CE A:LYS122 3.7 11.9 1.0 O A:HOH637 3.7 21.5 1.0 OXT B:VAL595 3.9 19.4 1.0 C16 A:S6O401 4.0 31.6 0.8 C12 A:S6O401 4.0 22.8 0.8 O A:HOH696 4.0 24.9 1.0 CE2 A:PHE119 4.0 16.2 1.0 CD A:LYS122 4.1 10.3 1.0 HZ2 A:LYS122 4.3 14.7 1.0 O B:VAL595 4.4 15.5 1.0 C B:VAL595 4.4 21.8 1.0 C11 A:S6O401 4.5 27.2 0.8 HD2 A:PHE119 4.5 16.0 1.0 CG2 B:VAL595 4.5 15.4 1.0 CD2 A:PHE119 4.6 13.3 1.0 HD2 A:LYS122 4.6 12.4 1.0 HE2 A:LYS122 4.6 14.3 1.0 HB B:VAL595 4.6 21.4 1.0 CZ A:PHE119 4.6 14.0 1.0 HZ A:PHE119 4.7 16.8 1.0 OG A:SER45 4.7 15.6 0.5 O A:HOH521 4.7 16.3 1.0 HG A:SER45 4.8 18.7 0.5 H17 A:S6O401 4.8 37.9 0.8 O A:HOH560 4.8 27.5 1.0 H14 A:S6O401 4.8 27.3 0.8 HG21 B:VAL595 4.8 18.5 1.0 HG23 A:ILE168 4.9 19.4 1.0 HA3 A:GLY171 4.9 12.6 1.0 HA A:ILE168 4.9 14.5 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 Through Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004