Chlorine in PDB 7ugl: Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30

All present enzymatic activity of Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30:
2.3.1.48;

The structure of Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30, PDB code: 7ugl 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)	40.54 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.08, 59.49, 57.47, 90, 109.76, 90
R / Rfree (%)	16 / 18.1

The binding sites of Chlorine atom in the Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30 (pdb code 7ugl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30, PDB code: 7ugl:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:19.6 occ:1.00 CL16 A:N6I1201 0.0 19.6 1.0 C15 A:N6I1201 1.7 14.8 1.0 C17 A:N6I1201 2.7 15.6 1.0 C14 A:N6I1201 2.7 14.2 1.0 H4 A:N6I1201 2.7 18.7 1.0 H3 A:N6I1201 2.8 17.1 1.0 CH2 A:TRP1151 3.7 14.1 1.0 O A:HOH1407 3.8 27.5 1.0 CZ3 A:TRP1151 3.9 12.8 1.0 CG A:MET1193 3.9 16.1 1.0 CB A:MET1193 3.9 14.9 1.0 C11 A:N6I1201 4.0 13.5 1.0 C13 A:N6I1201 4.0 14.1 1.0 CA A:ASP1190 4.0 17.5 1.0 O B:HOH1322 4.1 20.4 1.0 CE B:LYS1139 4.2 18.3 1.0 CG2 A:ILE1189 4.3 14.8 1.0 O A:ILE1189 4.4 14.7 1.0 N A:ASP1190 4.5 14.9 1.0 C12 A:N6I1201 4.5 13.7 1.0 C A:ILE1189 4.5 15.3 1.0 CB A:ASP1190 4.6 22.5 1.0 H2 A:N6I1201 4.7 16.9 1.0 O A:ASP1190 4.7 15.9 1.0 CZ2 A:TRP1151 4.8 13.1 1.0 CG1 A:ILE1189 4.8 12.6 1.0 OD2 A:ASP1190 4.9 33.2 1.0 CG A:ASP1190 4.9 27.1 1.0 NZ B:LYS1139 4.9 20.8 1.0 C A:ASP1190 4.9 15.8 1.0 CD B:LYS1139 5.0 15.9 1.0

Chlorine binding site 2 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:53.7 occ:1.00 CL A:2LO1202 0.0 53.7 1.0 C16 A:2LO1202 1.8 37.7 1.0 C17 A:2LO1202 2.7 36.0 1.0 C15 A:2LO1202 2.7 35.0 1.0 H6 A:2LO1202 2.8 43.2 1.0 O A:2LO1202 3.0 41.1 1.0 CD A:ARG1173 3.2 26.1 1.0 CG A:PRO1110 3.3 21.3 1.0 CG A:ARG1173 3.3 18.5 1.0 CE2 A:PHE1177 3.4 17.8 1.0 CD2 A:PHE1177 3.5 16.0 1.0 CG2 A:VAL1174 3.6 22.4 1.0 C12 A:2LO1202 4.0 37.2 1.0 C14 A:2LO1202 4.0 45.5 1.0 CB A:ARG1173 4.1 18.4 1.0 CZ A:PHE1177 4.3 17.8 1.0 CD A:PRO1110 4.3 16.2 1.0 N A:VAL1174 4.3 14.7 1.0 CB A:PRO1110 4.3 17.5 1.0 CA A:VAL1174 4.4 14.8 1.0 H25 A:2LO1202 4.4 35.4 1.0 C18 A:2LO1202 4.4 42.5 1.0 CG A:PHE1177 4.5 14.6 1.0 C A:ARG1173 4.5 15.2 1.0 C13 A:2LO1202 4.5 37.2 1.0 NE A:ARG1173 4.6 35.4 1.0 CB A:VAL1174 4.7 16.8 1.0 O A:ARG1173 4.7 14.3 1.0 H4 A:2LO1202 4.8 54.7 1.0 H2 A:2LO1202 4.8 51.0 1.0 H1 A:2LO1202 4.8 51.0 1.0 H3 A:2LO1202 4.9 51.0 1.0 NH1 A:ARG1173 5.0 38.7 1.0 CA A:ARG1173 5.0 17.0 1.0

Chlorine binding site 3 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1201 b:21.3 occ:1.00 CL16 B:N6I1201 0.0 21.3 1.0 C15 B:N6I1201 1.8 14.6 1.0 C17 B:N6I1201 2.7 16.5 1.0 C14 B:N6I1201 2.7 16.1 1.0 H4 B:N6I1201 2.8 19.8 1.0 H3 B:N6I1201 2.8 19.3 1.0 O B:HOH1371 3.7 28.8 1.0 CH2 B:TRP1151 3.7 14.5 1.0 O B:HOH1336 3.8 25.4 1.0 CG B:MET1193 3.9 19.3 1.0 CB B:MET1193 4.0 14.3 1.0 C11 B:N6I1201 4.0 13.0 1.0 C13 B:N6I1201 4.0 13.8 1.0 CA B:ASP1190 4.0 18.9 1.0 CZ3 B:TRP1151 4.0 13.3 1.0 CG2 B:ILE1189 4.2 16.2 1.0 O B:ILE1189 4.4 14.7 1.0 N B:ASP1190 4.5 15.3 1.0 C12 B:N6I1201 4.5 14.3 1.0 C B:ILE1189 4.5 16.2 1.0 CB B:ASP1190 4.7 20.2 1.0 H2 B:N6I1201 4.7 16.6 1.0 O B:ASP1190 4.8 17.0 1.0 OD2 B:ASP1190 4.8 28.0 1.0 CZ2 B:TRP1151 4.9 14.1 1.0 CG1 B:ILE1189 4.9 16.2 1.0 C B:ASP1190 5.0 18.4 1.0

Chlorine binding site 4 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bromodomain of Cbp Liganded with Bms-536924 and Sgc-CBP30 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1202 b:48.0 occ:0.00 CL B:2LO1202 0.0 48.0 0.0 C16 B:2LO1202 1.8 50.0 0.0 C17 B:2LO1202 2.7 53.1 0.0 C15 B:2LO1202 2.8 52.9 0.0 CE2 B:PHE1177 3.0 19.0 1.0 O B:2LO1202 3.2 48.7 0.0 CD2 B:PHE1177 3.3 18.6 1.0 CG2 B:VAL1174 3.5 19.1 1.0 CG B:PRO1110 3.6 22.0 1.0 NE B:ARG1173 3.7 32.1 1.0 CZ B:PHE1177 4.0 18.4 1.0 C12 B:2LO1202 4.0 56.5 0.0 C14 B:2LO1202 4.1 58.1 0.0 CG B:ARG1173 4.1 22.2 1.0 CD B:ARG1173 4.1 29.9 1.0 CG B:PHE1177 4.4 16.6 1.0 CA B:VAL1174 4.4 14.5 1.0 N B:VAL1174 4.5 14.7 1.0 CB B:ARG1173 4.5 15.9 1.0 C13 B:2LO1202 4.5 57.5 0.0 CD B:PRO1110 4.5 16.4 1.0 CB B:VAL1174 4.6 17.6 1.0 C18 B:2LO1202 4.6 46.7 0.0 C B:ARG1173 4.7 17.4 1.0 CB B:PRO1110 4.7 19.9 1.0 CZ B:ARG1173 4.8 29.1 1.0 O B:ARG1173 4.8 14.9 1.0 CE1 B:PHE1177 4.9 21.8 1.0 NH2 B:ARG1173 4.9 33.5 1.0

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