Chlorine in PDB 8c04: Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)

The structure of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354), PDB code: 8c04 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)	45.24 / 1.10
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.819, 111.877, 62.102, 90, 90, 90
R / Rfree (%)	18 / 19.7

The structure of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) (pdb code 8c04). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354), PDB code: 8c04:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:20.2 occ:1.00 CL1 A:GEH304 0.0 20.2 1.0 C02 A:GEH304 1.8 17.8 1.0 HE3 A:LYS122 2.7 12.3 1.0 C17 A:GEH304 2.7 18.9 1.0 C03 A:GEH304 2.7 18.1 1.0 H14 A:GEH304 2.8 22.7 1.0 H1 A:GEH304 2.9 21.8 1.0 HA A:ILE168 3.0 11.9 1.0 HD3 A:LYS122 3.1 12.0 1.0 CE A:LYS122 3.4 10.3 1.0 HG23 A:ILE168 3.5 14.1 1.0 CD A:LYS122 3.6 10.0 1.0 HA3 A:GLY171 3.6 11.5 1.0 HD2 A:LYS122 3.6 12.0 1.0 HG23 B:VAL595 3.6 16.4 1.0 HZ1 A:LYS122 3.6 12.4 1.0 HG12 A:ILE168 3.7 15.9 1.0 HE2 A:PHE119 3.8 20.4 1.0 O A:HOH614 3.9 22.4 1.0 CA A:ILE168 4.0 9.9 1.0 NZ A:LYS122 4.0 10.3 1.0 C16 A:GEH304 4.0 19.3 1.0 C04 A:GEH304 4.0 17.9 1.0 HD2 A:PHE119 4.1 18.2 1.0 CE2 A:PHE119 4.2 17.0 1.0 HE2 A:LYS122 4.2 12.3 1.0 HZ3 A:LYS122 4.2 12.4 1.0 O A:ILE168 4.2 9.8 1.0 CD2 A:PHE119 4.3 15.2 1.0 CG2 A:ILE168 4.3 11.7 1.0 O A:PRO167 4.4 10.8 1.0 CA A:GLY171 4.5 9.6 1.0 CG1 A:ILE168 4.5 13.2 1.0 CG2 B:VAL595 4.5 13.7 1.0 CB A:ILE168 4.5 10.9 1.0 H A:LEU172 4.5 10.4 1.0 C05 A:GEH304 4.5 17.4 1.0 HG21 B:VAL595 4.5 16.4 1.0 C A:ILE168 4.6 9.2 1.0 H A:GLY171 4.7 10.5 1.0 C A:GLY171 4.8 9.2 1.0 N A:LEU172 4.8 8.7 1.0 HG13 A:ILE168 4.8 15.9 1.0 HZ2 A:LYS122 4.8 12.4 1.0 OXT B:VAL595 4.8 17.3 1.0 N A:ILE168 4.8 9.8 1.0 H13 A:GEH304 4.9 23.2 1.0 HG21 A:ILE168 4.9 14.1 1.0 H7 A:GEH304 4.9 21.5 1.0 HG22 A:ILE168 4.9 14.1 1.0 HA A:PHE119 5.0 10.5 1.0

Chlorine binding site 2 out of 2 in the Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Co-Soaked Stabilizers For Era - 14-3-3 Interaction (884_AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:50.2 occ:1.00 CL A:LF5305 0.0 50.2 1.0 C08 A:LF5305 1.8 26.3 1.0 C07 A:LF5305 2.7 27.7 1.0 H071 A:LF5305 2.8 33.3 1.0 C09 A:LF5305 2.8 21.7 1.0 HA A:GLU39 3.1 13.6 1.0 HB2 A:GLU39 3.2 12.3 1.0 HG3 A:GLU39 3.2 15.5 1.0 H131 A:LF5305 3.3 11.3 1.0 C13 A:LF5305 3.4 9.4 1.0 CB A:GLU39 3.7 10.2 1.0 CA A:GLU39 3.8 11.3 1.0 CG A:GLU39 3.9 12.9 1.0 C06 A:LF5305 4.0 28.6 1.0 C10 A:LF5305 4.0 26.2 1.0 N A:GLU39 4.3 9.6 1.0 H A:GLU39 4.5 11.5 1.0 C05 A:LF5305 4.6 28.3 1.0 CD A:GLU39 4.6 14.4 1.0 HB2 A:CYS42 4.6 13.5 1.0 HB3 A:GLU39 4.6 12.3 1.0 HG2 A:GLU39 4.7 15.5 1.0 C12 A:LF5305 4.8 24.4 1.0 C A:ASN38 4.8 9.9 1.0 H061 A:LF5305 4.9 34.3 1.0 SG A:CYS42 4.9 15.6 1.0 HB2 A:ASN38 5.0 14.7 1.0 OE1 A:GLU39 5.0 17.6 1.0 HB3 A:ASN38 5.0 14.7 1.0 O A:ASN38 5.0 10.2 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