Chlorine in PDB 8bz9: Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354)

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354), PDB code: 8bz9 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)	45.31 / 1.30
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.764, 111.602, 62.364, 90, 90, 90
R / Rfree (%)	18.4 / 19.5

The structure of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) (pdb code 8bz9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354), PDB code: 8bz9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:33.1 occ:1.00 CL A:LF5303 0.0 33.1 1.0 C08 A:LF5303 1.7 23.5 1.0 C07 A:LF5303 2.7 32.8 1.0 C09 A:LF5303 2.7 33.5 1.0 H071 A:LF5303 2.8 39.3 1.0 H131 A:LF5303 3.0 29.4 1.0 C13 A:LF5303 3.3 24.4 1.0 O A:HOH454 3.4 23.5 1.0 OD1 A:ASN42 3.5 17.8 1.0 O A:HOH648 3.9 35.2 1.0 C06 A:LF5303 4.0 31.5 1.0 CG A:ASN42 4.0 16.8 1.0 C10 A:LF5303 4.0 27.1 1.0 O A:HOH659 4.1 39.2 1.0 HB3 A:ASN42 4.2 17.8 1.0 O A:HOH511 4.2 22.5 1.0 C05 A:LF5303 4.5 31.0 1.0 ND2 A:ASN42 4.6 17.2 1.0 C12 A:LF5303 4.6 23.7 1.0 CB A:ASN42 4.6 14.8 1.0 HD21 A:ASN42 4.6 20.7 1.0 H061 A:LF5303 4.8 37.8 1.0 HB2 A:ASN42 5.0 17.8 1.0

Chlorine binding site 2 out of 2 in the Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Single Soak Stabilizer For Era - 14-3-3 Interaction (AZ354) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:27.5 occ:1.00 CL A:LF5304 0.0 27.5 1.0 C08 A:LF5304 1.7 27.3 1.0 C07 A:LF5304 2.7 30.1 1.0 C09 A:LF5304 2.7 27.8 1.0 H071 A:LF5304 2.8 36.1 1.0 HB3 A:GLN93 2.8 19.9 1.0 HD21 A:LEU131 2.9 18.8 1.0 HB2 A:ASP97 2.9 20.5 1.0 H131 A:LF5304 3.0 30.3 1.0 O A:GLN93 3.2 16.3 1.0 C13 A:LF5304 3.2 25.2 1.0 HD22 A:LEU131 3.4 18.8 1.0 HD11 A:LEU131 3.5 18.3 1.0 CD2 A:LEU131 3.5 15.6 1.0 CB A:GLN93 3.7 16.5 1.0 HD13 A:LEU131 3.7 18.3 1.0 C A:GLN93 3.9 15.4 1.0 HA A:GLN93 3.9 16.6 1.0 CB A:ASP97 3.9 17.1 1.0 C06 A:LF5304 4.0 28.4 1.0 C10 A:LF5304 4.0 30.0 1.0 HG2 A:GLN93 4.0 20.8 1.0 H A:ASP97 4.0 16.6 1.0 CD1 A:LEU131 4.0 15.2 1.0 CA A:GLN93 4.1 13.8 1.0 HD23 A:LEU131 4.2 18.8 1.0 HB2 A:CYS96 4.3 18.1 1.0 HB3 A:ASP97 4.3 20.5 1.0 HB2 A:GLN93 4.4 19.9 1.0 CG A:GLN93 4.4 17.3 1.0 N A:ASP97 4.4 13.8 1.0 HA A:ASP97 4.4 18.3 1.0 CG A:LEU131 4.4 13.1 1.0 C05 A:LF5304 4.5 27.9 1.0 CA A:ASP97 4.5 15.2 1.0 C12 A:LF5304 4.6 25.7 1.0 CG A:ASP97 4.7 22.1 1.0 OD1 A:ASP97 4.7 24.6 1.0 H061 A:LF5304 4.8 34.1 1.0 HA2 A:GLY94 4.9 17.9 1.0 N A:GLY94 4.9 14.9 1.0 HD12 A:LEU131 4.9 18.3 1.0 CD A:GLN93 5.0 19.7 1.0 HG A:LEU131 5.0 15.7 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 Through Fragment Linking. Angew.Chem.Int.Ed.Engl. 08004 2023.
ISSN: ESSN 1521-3773
PubMed: 37455289
DOI: 10.1002/ANIE.202308004