Chlorine in PDB 7ug5: Second Bromodomain of BRD3 Liganded with Bms-536924

The structure of Second Bromodomain of BRD3 Liganded with Bms-536924, PDB code: 7ug5 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)	19.80 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	104.59, 92.28, 64.91, 90, 99.42, 90
R / Rfree (%)	18.8 / 22.4

The binding sites of Chlorine atom in the Second Bromodomain of BRD3 Liganded with Bms-536924 (pdb code 7ug5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Second Bromodomain of BRD3 Liganded with Bms-536924, PDB code: 7ug5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Second Bromodomain of BRD3 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 Second Bromodomain of BRD3 Liganded with Bms-536924 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:50.9 occ:1.00 CL16 A:N6I501 0.0 50.9 1.0 C15 A:N6I501 1.7 38.3 1.0 C14 A:N6I501 2.7 32.4 1.0 C17 A:N6I501 2.7 39.0 1.0 OE1 A:GLU396 3.1 40.0 1.0 CE1 A:HIS395 3.4 34.6 1.0 CZ C:ARG313 3.4 41.3 1.0 NE C:ARG313 3.5 32.1 1.0 CD A:GLU396 3.6 51.2 1.0 NH2 C:ARG313 3.7 42.9 1.0 NH1 C:ARG313 3.9 39.8 1.0 C13 A:N6I501 3.9 27.1 1.0 NE2 A:HIS395 4.0 28.8 1.0 CD C:ARG313 4.0 35.2 1.0 C11 A:N6I501 4.0 34.1 1.0 CB A:GLU396 4.0 28.2 1.0 CG2 A:VAL397 4.1 30.8 1.0 CG A:GLU396 4.2 49.4 1.0 ND1 A:HIS395 4.2 27.7 1.0 OE2 A:GLU396 4.3 60.0 1.0 C12 A:N6I501 4.5 32.0 1.0 C32 A:N6I501 4.6 49.6 1.0 CG C:ARG313 4.8 27.9 1.0 C31 A:N6I501 4.9 44.2 1.0 N A:VAL397 5.0 19.2 1.0

Chlorine binding site 2 out of 2 in the Second Bromodomain of BRD3 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 Second Bromodomain of BRD3 Liganded with Bms-536924 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:50.1 occ:1.00 CL16 B:N6I501 0.0 50.1 1.0 C15 B:N6I501 1.8 37.8 1.0 C14 B:N6I501 2.7 36.3 1.0 C17 B:N6I501 2.8 36.0 1.0 OE1 B:GLU396 3.0 57.9 1.0 CE1 B:HIS395 3.5 35.5 1.0 CD B:GLU396 3.7 51.0 1.0 C13 B:N6I501 4.0 33.5 1.0 NE2 B:HIS395 4.0 36.2 1.0 C11 B:N6I501 4.1 36.9 1.0 CB B:GLU396 4.1 29.6 1.0 O B:HOH710 4.2 46.5 1.0 ND1 B:HIS395 4.3 28.4 1.0 C32 B:N6I501 4.3 43.8 1.0 OE2 B:GLU396 4.4 39.1 1.0 CG B:GLU396 4.4 44.8 1.0 C12 B:N6I501 4.5 34.3 1.0 C31 B:N6I501 4.8 39.9 1.0

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