Chlorine in PDB 8bx4: Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392)

The structure of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392), PDB code: 8bx4 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)	56.34 / 1.60
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.967, 112.681, 62.627, 90, 90, 90
R / Rfree (%)	16.2 / 19.2

The binding sites of Chlorine atom in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392) (pdb code 8bx4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392), PDB code: 8bx4:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392)


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 (1074392) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:30.1 occ:1.00 CL1 A:RZC401 0.0 30.1 1.0 C20 A:RZC401 1.8 29.8 1.0 C19 A:RZC401 2.7 21.5 1.0 C22 A:RZC401 2.8 30.2 1.0 H191 A:RZC401 2.8 25.9 1.0 HE3 A:LYS122 2.9 11.9 1.0 HA A:ILE168 3.0 14.5 1.0 HD3 A:LYS122 3.0 12.1 1.0 CL2 A:RZC401 3.1 37.1 1.0 HG23 A:ILE168 3.2 16.6 1.0 CE A:LYS122 3.6 9.9 1.0 CD A:LYS122 3.6 10.0 1.0 HD2 A:LYS122 3.6 12.1 1.0 HZ3 A:LYS122 3.6 15.2 1.0 HG12 A:ILE168 3.7 18.1 1.0 HA3 A:GLY171 3.8 11.7 1.0 HG23 B:VAL595 3.9 18.2 1.0 CA A:ILE168 3.9 12.1 1.0 O A:HOH680 3.9 19.7 1.0 HD2 A:PHE119 3.9 15.9 1.0 C18 A:RZC401 4.0 30.0 1.0 NZ A:LYS122 4.1 12.6 1.0 C24 A:RZC401 4.1 25.1 1.0 HE2 A:PHE119 4.1 18.6 1.0 CG2 A:ILE168 4.1 13.8 1.0 O A:ILE168 4.2 10.5 1.0 O A:HOH567 4.4 28.6 1.0 HZ2 A:LYS122 4.4 15.2 1.0 CB A:ILE168 4.4 11.6 1.0 HE2 A:LYS122 4.4 11.9 1.0 CD2 A:PHE119 4.4 13.2 1.0 CG1 A:ILE168 4.5 15.1 1.0 HG22 A:ILE168 4.5 16.6 1.0 O A:PRO167 4.5 12.0 1.0 CE2 A:PHE119 4.5 15.5 1.0 C17 A:RZC401 4.6 28.3 1.0 H A:LEU172 4.6 11.6 1.0 C A:ILE168 4.6 9.9 1.0 CA A:GLY171 4.6 9.7 1.0 O A:HOH763 4.7 28.6 1.0 H A:GLY171 4.7 11.0 1.0 H181 A:RZC401 4.7 36.1 1.0 CG2 B:VAL595 4.7 15.1 1.0 HG21 B:VAL595 4.8 18.2 1.0 HG21 A:ILE168 4.8 16.6 1.0 H241 A:RZC401 4.8 30.1 1.0 N A:ILE168 4.8 10.7 1.0 HZ1 A:LYS122 4.8 15.2 1.0 HG13 A:ILE168 4.8 18.1 1.0 N A:LEU172 4.9 9.7 1.0 C A:GLY171 4.9 9.2 1.0 HA A:PHE119 4.9 12.4 1.0

Chlorine binding site 2 out of 2 in the Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fragment-Linked Stabilizer For Era - 14-3-3 Interaction (1074392) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:37.1 occ:1.00 CL2 A:RZC401 0.0 37.1 1.0 C22 A:RZC401 1.8 30.2 1.0 C20 A:RZC401 2.7 29.8 1.0 C24 A:RZC401 2.8 25.1 1.0 H241 A:RZC401 2.9 30.1 1.0 HE2 A:PHE119 3.0 18.6 1.0 CL1 A:RZC401 3.1 30.1 1.0 O B:HOH601 3.2 21.5 1.0 O A:HOH567 3.3 28.6 1.0 HG A:SER45 3.5 21.8 1.0 O A:HOH622 3.7 17.7 1.0 CE2 A:PHE119 3.7 15.5 1.0 O A:HOH554 3.7 24.5 1.0 HZ3 A:LYS122 3.8 15.2 1.0 OXT B:VAL595 3.9 18.3 1.0 OD1 A:ASN42 4.0 17.7 1.0 C19 A:RZC401 4.0 21.5 1.0 C17 A:RZC401 4.0 28.3 1.0 HZ A:PHE119 4.1 14.8 1.0 O A:HOH680 4.2 19.7 1.0 OG A:SER45 4.2 18.1 1.0 CZ A:PHE119 4.3 12.3 1.0 HG23 B:VAL595 4.4 18.2 1.0 HB2 A:SER45 4.4 15.3 1.0 HZ2 A:LYS122 4.4 15.2 1.0 NZ A:LYS122 4.5 12.6 1.0 HE3 A:LYS122 4.5 11.9 1.0 C18 A:RZC401 4.5 30.0 1.0 CD2 A:PHE119 4.6 13.2 1.0 HD2 A:PHE119 4.6 15.9 1.0 H152 A:RZC401 4.6 36.3 1.0 C B:VAL595 4.7 16.7 1.0 H191 A:RZC401 4.7 25.9 1.0 HB B:VAL595 4.8 19.0 1.0 CB A:SER45 4.8 12.8 1.0 HD3 A:LYS122 4.8 12.1 1.0 CE A:LYS122 5.0 9.9 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