Bromine in PDB 7k6r: Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to GSK4027

The structure of Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to GSK4027, PDB code: 7k6r 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)	37.28 / 1.60
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	27.060, 35.520, 41.150, 114.12, 95.93, 91.06
R / Rfree (%)	16.1 / 19.7

The binding sites of Bromine atom in the Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to GSK4027 (pdb code 7k6r). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to GSK4027, PDB code: 7k6r:

Bromine 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 GSK4027


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the Bromodomain (Bd) of Human Bromodomain and Phd Finger-Containing Transcription Factor (Bptf) Bound to GSK4027 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br3101 b:18.5 occ:1.00 BR A:9ST3101 0.0 18.5 1.0 C43 A:9ST3101 1.9 13.0 1.0 C32 A:9ST3101 2.9 14.7 1.0 C41 A:9ST3101 2.9 16.5 1.0 O42 A:9ST3101 3.1 17.1 1.0 N30 A:9ST3101 3.2 16.6 1.0 O A:PRO2951 3.4 16.1 1.0 CE1 A:PHE2952 3.5 16.4 1.0 CD1 A:PHE2952 3.7 15.8 1.0 O A:HOH3210 3.7 16.5 1.0 CB A:PRO2951 3.7 15.0 1.0 O A:HOH3244 3.8 15.9 1.0 C A:PRO2951 4.0 13.6 1.0 O A:HOH3259 4.2 17.6 1.0 N36 A:9ST3101 4.3 19.8 1.0 CG2 A:VAL2956 4.3 17.9 1.0 C33 A:9ST3101 4.3 18.0 1.0 CB A:PHE3013 4.3 17.4 1.0 CG A:PHE3013 4.3 18.3 1.0 O A:HOH3264 4.3 17.1 1.0 SG A:CYS3003 4.3 15.0 1.0 CA A:PRO2951 4.4 14.7 1.0 CD1 A:PHE3013 4.4 18.1 1.0 CZ A:PHE2952 4.5 15.8 1.0 C09 A:9ST3101 4.6 17.4 1.0 CG A:PHE2952 4.7 12.1 1.0 CD2 A:PHE3013 4.8 19.7 1.0 N35 A:9ST3101 4.8 22.2 1.0 CB A:CYS3003 4.8 13.5 1.0 N A:PHE2952 4.9 14.2 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