Chlorine in PDB 6djc: Crystal Structure of Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645

The structure of Crystal Structure of Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645, PDB code: 6djc was solved by C.Ren, M.M.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.32 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.000, 59.720, 95.620, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 17.6

The binding sites of Chlorine atom in the Crystal Structure of Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645 (pdb code 6djc). 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 Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645, PDB code: 6djc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645


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 Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:14.8 occ:1.00 CL1 A:CF6501 0.0 14.8 1.0 C45 A:CF6501 1.8 10.0 1.0 C44 A:CF6501 2.7 9.7 1.0 C46 A:CF6501 2.7 14.8 1.0 O A:HOH633 3.3 13.2 1.0 C20 A:CF6501 3.9 12.8 1.0 C43 A:CF6501 4.0 9.6 1.0 C47 A:CF6501 4.0 14.5 1.0 CD2 A:LEU92 4.1 16.2 1.0 C18 A:CF6501 4.2 13.3 1.0 C42 A:CF6501 4.5 10.8 1.0 C31 A:CF6501 4.7 13.8 1.0 O A:HOH613 4.7 22.3 1.0 C19 A:CF6501 4.8 10.6 1.0 O1 A:CF6501 4.8 10.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645


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 Human Bromodomain-Containing Protein 4 (BRD4) Bromodomain with MS645 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:13.6 occ:1.00 CL A:CF6501 0.0 13.6 1.0 C38 A:CF6501 1.8 10.1 1.0 C39 A:CF6501 2.7 8.8 1.0 C37 A:CF6501 2.8 12.0 1.0 SD A:MET149 3.8 13.4 1.0 C14 A:CF6501 4.0 15.6 1.0 C40 A:CF6501 4.0 7.6 1.0 O A:HOH653 4.0 14.1 1.0 C15 A:CF6501 4.0 14.3 1.0 C36 A:CF6501 4.0 11.1 1.0 CB A:ASP145 4.1 9.0 1.0 O1 A:EDO507 4.2 22.9 1.0 C1 A:EDO507 4.3 23.9 1.0 C16 A:CF6501 4.3 14.9 1.0 OD2 A:ASP145 4.4 26.9 1.0 C35 A:CF6501 4.5 7.7 1.0 C13 A:CF6501 4.6 18.1 1.0 CE A:MET149 4.7 14.1 1.0 CG A:ASP145 4.7 15.9 1.0 C17 A:CF6501 5.0 12.1 1.0

C.Ren, G.Zhang, F.Han, S.Fu, Y.Cao, F.Zhang, Q.Zhang, J.Meslamani, Y.Xu, D.Ji, L.Cao, Q.Zhou, K.L.Cheung, R.Sharma, N.Babault, Z.Yi, W.Zhang, M.J.Walsh, L.Zeng, M.M.Zhou. Spatially Constrained Tandem Bromodomain Inhibition Bolsters Sustained Repression of BRD4 Transcriptional Activity For Tnbc Cell Growth. Proc. Natl. Acad. Sci. V. 115 7949 2018U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30012592
DOI: 10.1073/PNAS.1720000115