Chlorine in PDB 7ugi: Bromodomain of EP300 Liganded with Bms-536924

All present enzymatic activity of Bromodomain of EP300 Liganded with Bms-536924:
2.3.1.48;

The structure of Bromodomain of EP300 Liganded with Bms-536924, PDB code: 7ugi was solved by E.Schonbrunn, M.Bikowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.15 / 2.00
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	43.23, 43.23, 270.89, 90, 90, 120
R / Rfree (%)	21.6 / 27.4

The binding sites of Chlorine atom in the Bromodomain of EP300 Liganded with Bms-536924 (pdb code 7ugi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Bromodomain of EP300 Liganded with Bms-536924, PDB code: 7ugi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Bromodomain of EP300 Liganded with Bms-536924


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bromodomain of EP300 Liganded with Bms-536924 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:44.9 occ:1.00 CL16 A:N6I1201 0.0 44.9 1.0 C15 A:N6I1201 1.8 39.8 1.0 C17 A:N6I1201 2.7 35.8 1.0 C14 A:N6I1201 2.7 38.3 1.0 H4 A:N6I1201 2.8 43.0 1.0 H3 A:N6I1201 2.9 45.9 1.0 CG A:MET1157 3.7 29.4 1.0 CH2 A:TRP1115 3.7 30.9 1.0 CZ3 A:TRP1115 3.9 42.4 1.0 CB A:MET1157 3.9 29.9 1.0 C11 A:N6I1201 4.0 38.8 1.0 C13 A:N6I1201 4.0 34.5 1.0 CA A:ASP1154 4.1 30.4 1.0 CG2 A:ILE1153 4.1 29.2 1.0 O A:HOH1352 4.3 47.5 1.0 O A:ILE1153 4.4 33.4 1.0 C12 A:N6I1201 4.5 36.7 1.0 N A:ASP1154 4.5 31.3 1.0 OD1 A:ASP1154 4.6 72.8 1.0 C A:ILE1153 4.6 30.7 1.0 CG1 A:ILE1153 4.6 34.4 1.0 CB A:ASP1154 4.6 52.2 1.0 CG A:ASP1154 4.7 67.6 1.0 H2 A:N6I1201 4.8 41.4 1.0 O A:ASP1154 4.9 42.2 1.0 CZ2 A:TRP1115 4.9 31.1 1.0 CB A:ILE1153 4.9 35.6 1.0

Chlorine binding site 2 out of 2 in the Bromodomain of EP300 Liganded with Bms-536924


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bromodomain of EP300 Liganded with Bms-536924 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1201 b:40.6 occ:1.00 CL16 B:N6I1201 0.0 40.6 1.0 C15 B:N6I1201 1.8 43.1 1.0 C14 B:N6I1201 2.7 38.5 1.0 C17 B:N6I1201 2.7 35.4 1.0 H4 B:N6I1201 2.8 42.5 1.0 H3 B:N6I1201 2.8 46.2 1.0 OD2 B:ASP1154 3.3 61.6 1.0 CH2 B:TRP1115 3.6 45.6 1.0 CG B:MET1157 3.8 31.6 1.0 CZ3 B:TRP1115 3.9 42.2 1.0 O B:HOH1346 3.9 42.9 1.0 CB B:MET1157 3.9 29.5 1.0 C13 B:N6I1201 4.0 37.9 1.0 C11 B:N6I1201 4.0 35.0 1.0 CA B:ASP1154 4.1 47.8 1.0 CG B:ASP1154 4.3 60.6 1.0 CG2 B:ILE1153 4.3 39.9 1.0 O B:ILE1153 4.4 39.7 1.0 C12 B:N6I1201 4.5 34.8 1.0 N B:ASP1154 4.5 40.2 1.0 CG1 B:ILE1153 4.6 37.4 1.0 C B:ILE1153 4.6 42.2 1.0 H2 B:N6I1201 4.7 45.4 1.0 CZ2 B:TRP1115 4.8 43.4 1.0 O B:ASP1154 4.8 35.4 1.0 CB B:ASP1154 4.8 54.1 1.0 C B:ASP1154 5.0 39.3 1.0

E.Schonbrunn, M.Bikowitz. Structural Basis of Cbp and EP300 Interaction with Kinase Inhibitors To Be Published.