Chlorine in PDB 5y8c: Crystal Structure Analysis of the BRD4

The structure of Crystal Structure Analysis of the BRD4, PDB code: 5y8c was solved by Y.Xu, Y.Zhang, M.Song, C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.39 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.200, 47.200, 78.069, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 21.4

The binding sites of Chlorine atom in the Crystal Structure Analysis of the BRD4 (pdb code 5y8c). 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 Analysis of the BRD4, PDB code: 5y8c:

Chlorine binding site 1 out of 1 in the Crystal Structure Analysis of the BRD4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of the BRD4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:21.8 occ:1.00 CLAY A:8P9203 0.0 21.8 1.0 CAU A:8P9203 1.7 17.1 1.0 CAV A:8P9203 2.6 16.9 1.0 CAT A:8P9203 2.7 17.3 1.0 SD A:MET149 2.8 12.3 0.5 CE A:MET149 3.5 11.7 0.5 SD A:MET149 3.8 11.5 0.5 N A:ILE146 3.8 13.5 1.0 CA A:ILE146 3.9 13.2 1.0 CD1 A:ILE146 3.9 15.5 1.0 CE A:MET149 3.9 11.9 0.5 CAQ A:8P9203 3.9 16.4 1.0 CAS A:8P9203 3.9 17.1 1.0 CB A:ILE146 4.1 13.6 1.0 CB A:ASP145 4.1 15.5 1.0 C A:ASP145 4.1 14.0 1.0 CZ2 A:TRP81 4.2 11.6 1.0 CH2 A:TRP81 4.2 11.3 1.0 O A:ASP145 4.4 13.6 1.0 CG A:MET149 4.4 12.5 0.5 CAR A:8P9203 4.4 16.6 1.0 CG A:MET149 4.5 12.0 0.5 CG A:PRO82 4.5 10.2 1.0 CG1 A:ILE146 4.6 14.5 1.0 CA A:ASP145 4.8 14.6 1.0 O A:HOH349 4.9 15.9 1.0

M.Zhang, Y.Zhang, M.Song, X.Xue, J.Wang, C.Wang, C.Zhang, C.Li, Q.Xiang, L.Zou, X.Wu, C.Wu, B.Dong, W.Xue, Y.Zhou, H.Chen, D.Wu, K.Ding, Y.Xu. Structure-Based Discovery and Optimization of Benzo[ D]Isoxazole Derivatives As Potent and Selective Bet Inhibitors For Potential Treatment of Castration-Resistant Prostate Cancer (Crpc) J. Med. Chem. V. 61 3037 2018.
ISSN: ISSN 1520-4804
PubMed: 29566488
DOI: 10.1021/ACS.JMEDCHEM.8B00103