Chlorine in PDB 4qr4: BRD4 Bromodomain 1 Complex with Its Novel Inhibitors

The structure of BRD4 Bromodomain 1 Complex with Its Novel Inhibitors, PDB code: 4qr4 was solved by B.Xiong, D.Y.Cao, T.T.Chen, Y.C.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.49 / 1.28
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.210, 47.220, 78.730, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 17.7

The binding sites of Chlorine atom in the BRD4 Bromodomain 1 Complex with Its Novel Inhibitors (pdb code 4qr4). 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 BRD4 Bromodomain 1 Complex with Its Novel Inhibitors, PDB code: 4qr4:

Chlorine binding site 1 out of 1 in the BRD4 Bromodomain 1 Complex with Its Novel Inhibitors


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BRD4 Bromodomain 1 Complex with Its Novel Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:17.9 occ:1.00 CL A:BNK201 0.0 17.9 1.0 CAP A:BNK201 1.7 14.5 1.0 CAE A:BNK201 2.7 16.5 1.0 CAS A:BNK201 2.8 14.6 1.0 OAB A:BNK201 3.1 19.7 1.0 SAV A:BNK201 3.3 16.6 1.0 CAU A:BNK201 3.4 19.5 1.0 CAL A:BNK201 3.4 19.9 1.0 NAM A:BNK201 3.9 18.8 1.0 CH2 A:TRP81 3.9 10.1 1.0 CAF A:BNK201 4.0 13.1 1.0 CD2 A:LEU92 4.0 13.4 1.0 CAH A:BNK201 4.0 12.7 1.0 CZ3 A:TRP81 4.0 11.5 1.0 CAQ A:BNK201 4.5 12.6 1.0 OAC A:BNK201 4.7 16.4 1.0 CAK A:BNK201 4.7 19.6 1.0 CAJ A:BNK201 4.9 22.4 1.0 O A:HOH416 4.9 15.9 1.0

L.Zhao, Y.Wang, D.Y.Cao, T.T.Chen, Q.Wang, Y.Li, Y.C.Xu, N.Zhang, X.Wang, D.Chen, L.Chen, Y.L.Chen, G.Xia, Z.Shi, Y.C.Liu, Y.Lin, Z.Miao, J.Shen, B.Xiong. Fragment-Based Drug Discovery of 2-Thiazolidinones As BRD4 Inhibitors: 2. Structure-Based Optimization J.Med.Chem. V. 58 1281 2015.
ISSN: ISSN 0022-2623
PubMed: 25559428
DOI: 10.1021/JM501504K