Chlorine in PDB 7k6s: Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to Compound 4 (SKT1174)

The structure of Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to Compound 4 (SKT1174), PDB code: 7k6s was solved by A.Chan, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.99 / 1.23
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.210, 27.210, 37.920, 90.00, 96.83, 90.00
R / Rfree (%)	16.5 / 20.3

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to Compound 4 (SKT1174) (pdb code 7k6s). 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 (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to Compound 4 (SKT1174), PDB code: 7k6s:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to Compound 4 (SKT1174)


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 (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to Compound 4 (SKT1174) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3104 b:76.5 occ:1.00 O A:HOH3300 2.3 51.5 1.0 O A:ALA2945 3.3 11.3 1.0 CA A:ALA2945 4.0 10.7 1.0 C A:ALA2945 4.0 10.8 1.0 O A:HOH3236 4.2 35.0 1.0 CB A:ALA2945 4.5 12.3 1.0 O A:HOH3304 4.7 28.8 1.0 O A:HOH3323 4.8 45.8 1.0 O A:GLN2944 4.9 12.0 1.0 O A:HOH3283 5.0 45.5 1.0

P.D.Ycas, H.Zahid, A.Chan, N.M.Olson, J.A.Johnson, S.K.Talluri, E.Schonbrunn, W.C.K.Pomerantz. New Inhibitors For the Bptf Bromodomain Enabled By Structural Biology and Biophysical Assay Development. Org.Biomol.Chem. V. 18 5174 2020.
ISSN: ESSN 1477-0539
PubMed: 32588860
DOI: 10.1039/D0OB00506A