Chlorine in PDB 4tz8: Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor

All present enzymatic activity of Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor:
3.6.1.3;

The structure of Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor, PDB code: 4tz8 was solved by M.J.Harner, B.A.Chauder, J.Phan, S.W.Fesik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.62 / 2.15
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.942, 79.942, 138.259, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 23.1

The binding sites of Chlorine atom in the Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor (pdb code 4tz8). 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 Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor, PDB code: 4tz8:

Chlorine binding site 1 out of 1 in the Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human ATAD2 Bromodomain Bound to Fragment Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1203 b:44.3 occ:1.00 O A:HOH1345 2.9 42.8 1.0 O A:GLU1092 3.8 31.3 1.0 N A:ASP1094 3.9 33.0 1.0 CD1 A:LEU1093 4.0 28.2 1.0 CA A:LEU1093 4.1 38.2 1.0 CD2 A:PHE1097 4.2 25.6 1.0 CG A:PHE1097 4.3 27.7 1.0 CD1 A:PHE992 4.5 30.6 1.0 C A:LEU1093 4.5 40.9 1.0 CB A:PHE1097 4.6 26.7 1.0 CE2 A:PHE1097 4.6 29.1 1.0 CG A:PHE992 4.7 29.4 1.0 CB A:ASP1094 4.7 29.4 1.0 C A:GLU1092 4.7 32.6 1.0 CE1 A:PHE992 4.7 32.2 1.0 OE1 A:GLU988 4.9 45.5 1.0 CB A:LEU1093 4.9 36.2 1.0 O A:HOH1319 4.9 32.0 1.0 CA A:ASP1094 4.9 30.4 1.0 CG A:LEU1093 4.9 39.1 1.0 N A:LEU1093 4.9 31.4 1.0 CD1 A:PHE1097 4.9 28.6 1.0

M.J.Harner, B.A.Chauder, J.Phan, S.W.Fesik. Fragment-Based Screening of the Bromodomain of ATAD2. J.Med.Chem. 2014.
ISSN: ISSN 0022-2623
PubMed: 25314628
DOI: 10.1021/JM501035J