Chlorine in PDB 5o5h: Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053

The structure of Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053, PDB code: 5o5h was solved by J.Zhu, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.70 / 1.85
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.027, 61.027, 63.787, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 23.5

The binding sites of Chlorine atom in the Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053 (pdb code 5o5h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053, PDB code: 5o5h:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl801 b:73.1 occ:0.56 CL A:9LK801 0.0 73.1 0.6 CAR A:9LK801 1.7 69.6 0.6 CAE A:9LK801 2.7 71.9 0.6 CAF A:9LK801 2.7 69.2 0.6 CAH A:9LK801 4.0 72.1 0.6 CAI A:9LK801 4.0 67.9 0.6 CAI A:9LK802 4.3 71.8 0.5 CAV A:9LK801 4.5 68.8 0.6 CAF A:9LK802 4.9 72.5 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Human BRPF1 Bromodomain in Complex with BZ053 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:73.9 occ:0.48 CL A:9LK802 0.0 73.9 0.5 CAR A:9LK802 1.7 68.5 0.5 CAF A:9LK802 2.7 72.5 0.5 CAE A:9LK802 2.7 64.0 0.5 OE1 A:GLU661 3.1 76.9 1.0 CD A:GLU661 3.8 71.8 1.0 CAI A:9LK802 4.0 71.8 0.5 CAH A:9LK802 4.0 64.9 0.5 CAH A:9LK801 4.1 72.1 0.6 OG A:SER660 4.3 63.2 1.0 CG A:GLU661 4.4 64.0 1.0 CAV A:9LK802 4.5 67.8 0.5 OE2 A:GLU661 4.5 68.1 1.0 CAE A:9LK801 4.8 71.9 0.6 OAO A:9LK801 4.9 65.9 0.6

J.Zhu, C.Zhou, A.Caflisch. Structure-Based Discovery of Selective BRPF1 Bromodomain Inhibitors. Eur J Med Chem V. 155 337 2018.
ISSN: ISSN 1768-3254
PubMed: 29902720
DOI: 10.1016/J.EJMECH.2018.05.037