Chlorine in PDB 4zc9: Crystal Structure of the BRD4A/Db-2-190 Complex

The structure of Crystal Structure of the BRD4A/Db-2-190 Complex, PDB code: 4zc9 was solved by H.-S.Seo, S.Deangelo, J.E.Bradner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.31 / 0.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.010, 43.050, 79.700, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 14.6

The binding sites of Chlorine atom in the Crystal Structure of the BRD4A/Db-2-190 Complex (pdb code 4zc9). 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 Crystal Structure of the BRD4A/Db-2-190 Complex, PDB code: 4zc9:

Chlorine binding site 1 out of 1 in the Crystal Structure of the BRD4A/Db-2-190 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the BRD4A/Db-2-190 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4000 b:11.4 occ:0.86 CL A:4MW4000 0.0 11.4 0.9 C26 A:4MW4000 1.7 10.2 1.0 C27 A:4MW4000 2.7 10.0 1.0 C25 A:4MW4000 2.7 11.5 0.9 H15 A:4MW4000 2.8 13.8 0.9 H14 A:4MW4000 2.8 12.0 1.0 HB3 A:ASP145 3.0 12.1 1.0 HB2 A:ASP145 3.4 12.1 1.0 CB A:ASP145 3.7 10.1 1.0 SD A:MET149 3.8 16.4 1.0 C24 A:4MW4000 4.0 11.3 0.9 C28 A:4MW4000 4.0 9.7 1.0 HZ2 A:TRP81 4.0 14.6 1.0 O A:HOH4119 4.1 25.1 0.8 OD2 A:ASP145 4.3 14.3 1.0 CG A:ASP145 4.4 11.4 1.0 C23 A:4MW4000 4.5 9.4 1.0 HA A:ILE146 4.7 10.0 1.0 HE1 A:MET149 4.7 21.9 1.0 HH2 A:TRP81 4.7 15.2 1.0 C A:ASP145 4.7 9.1 1.0 CZ2 A:TRP81 4.7 12.2 1.0 N A:ILE146 4.7 8.7 1.0 HB A:ILE146 4.7 10.7 1.0 CA A:ASP145 4.8 9.5 1.0 H A:ILE146 4.8 10.4 1.0 H16 A:4MW4000 4.8 13.6 0.9 H13 A:4MW4000 4.8 11.6 0.9 CE A:MET149 4.9 18.3 1.0 HG3 A:MET149 5.0 13.2 1.0

G.E.Winter, D.L.Buckley, J.Paulk, J.M.Roberts, A.Souza, S.Dhe-Paganon, J.E.Bradner. Drug Development. Phthalimide Conjugation As A Strategy For in Vivo Target Protein Degradation. Science V. 348 1376 2015.
ISSN: ESSN 1095-9203
PubMed: 25999370
DOI: 10.1126/SCIENCE.AAB1433