Chlorine in PDB 5f60: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with SG3-014

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with SG3-014, PDB code: 5f60 was solved by S.W.Ember, J.-Y.Zhu, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.39 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.970, 44.310, 78.770, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 17.1

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with SG3-014 (pdb code 5f60). 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 First Bromodomain of Human BRD4 in Complex with SG3-014, PDB code: 5f60:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with SG3-014


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 First Bromodomain of Human BRD4 in Complex with SG3-014 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:11.4 occ:1.00 CL1 A:5VZ201 0.0 11.4 1.0 C02 A:5VZ201 1.7 8.6 1.0 C13 A:5VZ201 2.7 8.3 1.0 H041 A:5VZ201 2.7 12.1 1.0 C03 A:5VZ201 2.7 8.2 1.0 H131 A:5VZ201 2.8 10.0 1.0 N04 A:5VZ201 3.0 10.0 1.0 HZ3 A:TRP81 3.0 14.8 1.0 HD23 A:LEU92 3.2 16.7 1.0 H081 A:5VZ201 3.2 13.6 1.0 HH2 A:TRP81 3.4 14.8 1.0 O A:HOH394 3.4 18.1 1.0 HD21 A:LEU92 3.7 16.7 1.0 CZ3 A:TRP81 3.7 12.4 1.0 CD2 A:LEU92 3.8 13.9 1.0 H091 A:5VZ201 3.9 11.8 1.0 CH2 A:TRP81 3.9 12.3 1.0 C12 A:5VZ201 4.0 6.5 1.0 C14 A:5VZ201 4.0 6.5 1.0 C08 A:5VZ201 4.2 11.3 1.0 HD22 A:LEU92 4.2 16.7 1.0 S05 A:5VZ201 4.4 10.2 1.0 H11 A:EDO204 4.5 45.1 1.0 C15 A:5VZ201 4.5 5.8 1.0 H22 A:EDO204 4.5 42.0 1.0 HD11 A:LEU92 4.6 17.8 1.0 C09 A:5VZ201 4.6 9.9 1.0 H083 A:5VZ201 4.7 13.6 1.0 C06 A:5VZ201 4.7 10.4 1.0 H082 A:5VZ201 4.7 13.6 1.0 H121 A:5VZ201 4.7 7.8 1.0 H141 A:5VZ201 4.8 7.8 1.0 H093 A:5VZ201 4.8 11.8 1.0 H21 A:EDO204 4.9 42.0 1.0

S.W.Ember, Q.T.Lambert, N.Berndt, S.Gunawan, M.Ayaz, M.Tauro, J.Y.Zhu, P.J.Cranfill, P.Greninger, C.C.Lynch, C.H.Benes, H.R.Lawrence, G.W.Reuther, N.J.Lawrence, E.Schonbrunn. Potent Dual Bet Bromodomain-Kinase Inhibitors As Value-Added Multitargeted Chemical Probes and Cancer Therapeutics. Mol. Cancer Ther. V. 16 1054 2017.
ISSN: ESSN 1538-8514
PubMed: 28336808
DOI: 10.1158/1535-7163.MCT-16-0568-T