Chlorine in PDB 6v17: Crystal Structure of the Bromodomain of Human BRD7 Bound to I-BRD9

The structure of Crystal Structure of the Bromodomain of Human BRD7 Bound to I-BRD9, PDB code: 6v17 was solved by M.R.Karim, A.Chan, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.59 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.102, 64.749, 96.107, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 24.1

The structure of Crystal Structure of the Bromodomain of Human BRD7 Bound to I-BRD9 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain of Human BRD7 Bound to I-BRD9 (pdb code 6v17). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Bromodomain of Human BRD7 Bound to I-BRD9, PDB code: 6v17:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human BRD7 Bound to I-BRD9


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 Bromodomain of Human BRD7 Bound to I-BRD9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:78.3 occ:1.00 NZ A:LYS230 3.1 72.5 1.0 OG A:SER227 3.3 40.5 1.0 CB A:SER227 3.8 34.1 1.0 CA A:SER227 4.1 29.0 1.0 NZ A:LYS150 4.2 44.6 1.0 CE A:LYS150 4.3 40.2 1.0 CE A:LYS230 4.3 72.0 1.0 CD A:LYS230 4.9 65.2 1.0 N A:SER227 4.9 27.7 1.0 CD A:LYS150 5.0 33.9 1.0

R.M.Karim, A.Chan, J.Y.Zhu, E.Schonbrunn. Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32091206
DOI: 10.1021/ACS.JMEDCHEM.9B01980