Chlorine in PDB 4bjx: N-Terminal Bromodomain of Human BRD4 with GSK1324726A (I-BET726)

The structure of N-Terminal Bromodomain of Human BRD4 with GSK1324726A (I-BET726), PDB code: 4bjx was solved by C.Chung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.04 / 1.59
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.780, 47.906, 58.757, 90.00, 90.00, 90.00
R / Rfree (%)	15.663 / 18.518

The binding sites of Chlorine atom in the N-Terminal Bromodomain of Human BRD4 with GSK1324726A (I-BET726) (pdb code 4bjx). 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 N-Terminal Bromodomain of Human BRD4 with GSK1324726A (I-BET726), PDB code: 4bjx:

Chlorine binding site 1 out of 1 in the N-Terminal Bromodomain of Human BRD4 with GSK1324726A (I-BET726)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Terminal Bromodomain of Human BRD4 with GSK1324726A (I-BET726) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1169 b:8.2 occ:1.00 CL1 A:73B1169 0.0 8.2 1.0 C8 A:73B1169 1.8 7.8 1.0 C7 A:73B1169 2.7 7.6 1.0 C9 A:73B1169 2.7 7.7 1.0 O A:HOH2253 3.2 27.7 1.0 O A:HOH2256 3.3 15.0 1.0 SD A:MET149 3.8 7.0 1.0 CZ2 A:TRP81 3.8 5.8 1.0 C6 A:73B1169 4.0 7.7 1.0 C10 A:73B1169 4.0 7.6 1.0 CE A:MET149 4.2 7.1 1.0 CH2 A:TRP81 4.3 5.9 1.0 CB A:ASP145 4.3 10.0 1.0 C5 A:73B1169 4.5 7.6 1.0 OD2 A:ASP145 4.6 11.7 1.0 O A:HOH2126 4.6 8.8 1.0 CG A:ASP145 4.9 10.9 1.0 CE2 A:TRP81 4.9 5.8 1.0

A.Wyce, G.Ganji, K.N.Smitheman, C.Chung, S.Korenchuk, Y.Bai, O.Barbash, B.Le, P.D.Craggs, M.T.Mccabe, K.M.Kennedy-Wilson, L.V.Sanchez, R.L.Gosmini, N.Parr, C.F.Mchugh, D.Dhanak, R.K.Prinjha, K.R.Auger, P.J.Tummino. Bet Inhibition Silences Expression of Mycn and BCL2 and Induces Cytotoxicity in Neuroblastoma Tumor Models. Plos One V. 8 72967 2013.
ISSN: ISSN 1932-6203
PubMed: 24009722
DOI: 10.1371/JOURNAL.PONE.0072967