Bromine in PDB 5z1t: Crystal Structure Analysis of the BRD4(1)

The structure of Crystal Structure Analysis of the BRD4(1), PDB code: 5z1t was solved by Y.Xu, Y.Zhang, Q.Xiang, M.Song, C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.31 / 1.42
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.100, 47.060, 78.090, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.1

The binding sites of Bromine atom in the Crystal Structure Analysis of the BRD4(1) (pdb code 5z1t). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure Analysis of the BRD4(1), PDB code: 5z1t:

Bromine binding site 1 out of 1 in the Crystal Structure Analysis of the BRD4(1)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure Analysis of the BRD4(1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:18.6 occ:1.00 BR A:EFN201 0.0 18.6 1.0 CAW A:EFN201 1.9 16.2 1.0 CAX A:EFN201 2.8 16.7 1.0 CAV A:EFN201 2.9 17.2 1.0 SD A:MET149 3.2 16.0 1.0 CD1 A:ILE146 3.5 14.8 0.5 CG1 A:ILE146 3.8 14.5 0.5 CB A:ASP145 3.8 17.4 1.0 CH2 A:TRP81 4.0 13.5 1.0 CZ2 A:TRP81 4.1 14.0 1.0 N A:ILE146 4.1 14.5 0.5 CAS A:EFN201 4.1 16.2 1.0 N A:ILE146 4.1 14.1 0.5 CAU A:EFN201 4.2 17.5 1.0 CE A:MET149 4.2 15.2 1.0 CD1 A:ILE146 4.2 13.6 0.5 C A:ASP145 4.3 14.3 1.0 CA A:ILE146 4.4 12.8 0.5 CA A:ILE146 4.4 13.6 0.5 CB A:ILE146 4.5 12.3 0.5 CAT A:EFN201 4.6 17.9 1.0 O2 A:EDO205 4.7 22.8 0.5 O2 A:EDO205 4.7 19.3 0.5 O A:ASP145 4.7 14.8 1.0 CB A:ILE146 4.7 13.5 0.5 CA A:ASP145 4.8 16.0 1.0 OD2 A:ASP145 4.8 21.6 1.0 CG A:ASP145 4.8 19.6 1.0 CG A:PRO82 4.8 12.5 1.0 CG A:MET149 4.8 13.8 1.0 C2 A:EDO205 4.9 22.6 0.5 CG1 A:ILE146 5.0 13.1 0.5

Q.Xiang, Y.Zhang, J.Li, X.Xue, C.Wang, M.Song, C.Zhang, R.Wang, C.Li, C.Wu, Y.Zhou, X.Yang, G.Li, K.Ding, Y.Xu. Y08060: A Selective Bet Inhibitor For Treatment of Prostate Cancer. Acs Med.Chem.Lett. V. 9 262 2018.
ISSN: ISSN 1948-5875
PubMed: 29541371
DOI: 10.1021/ACSMEDCHEMLETT.8B00003