Chlorine in PDB 4tz2: Fragment-Based Screening of the Bromodomain of ATAD2

All present enzymatic activity of Fragment-Based Screening of the Bromodomain of ATAD2:
3.6.1.3;

The structure of Fragment-Based Screening of the Bromodomain of ATAD2, PDB code: 4tz2 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)	38.02 / 1.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.203, 79.203, 136.036, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 20.1

The binding sites of Chlorine atom in the Fragment-Based Screening of the Bromodomain of ATAD2 (pdb code 4tz2). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Fragment-Based Screening of the Bromodomain of ATAD2, PDB code: 4tz2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Fragment-Based Screening of the Bromodomain of ATAD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Fragment-Based Screening of the Bromodomain of ATAD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1203 b:69.7 occ:1.00 O A:HOH1367 2.2 69.4 1.0 O A:HOH1358 2.2 55.0 1.0 NH2 A:ARG1077 3.5 24.3 1.0 O A:HOH1441 3.6 45.8 1.0 NH1 A:ARG1077 3.8 22.7 1.0 CZ A:ARG1077 4.1 21.0 1.0 O A:HOH1379 4.5 49.7 1.0 O A:HOH1418 4.8 39.0 1.0 NH2 A:ARG1007 5.0 78.7 1.0

Chlorine binding site 2 out of 2 in the Fragment-Based Screening of the Bromodomain of ATAD2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Fragment-Based Screening of the Bromodomain of ATAD2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1204 b:62.3 occ:1.00 N A:ARG1067 3.2 22.5 1.0 CG A:ARG1067 3.5 22.4 1.0 CB A:ARG1067 3.9 20.9 1.0 O A:HOH1302 3.9 51.3 1.0 CA A:ASP1066 3.9 26.6 1.0 C A:ASP1066 4.0 24.6 1.0 CB A:ASP1066 4.1 31.6 1.0 CA A:ARG1067 4.1 20.9 1.0 O A:HOH1444 4.2 39.4 1.0 OD1 A:ASP1066 4.2 46.6 1.0 CG A:ASP1066 4.4 45.8 1.0 O A:HOH1306 4.6 51.4 1.0 CD A:ARG1067 5.0 19.9 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