Chlorine in PDB 5wmd: N-Terminal Bromodomain of BRD4 in Complex with Otx-015

The structure of N-Terminal Bromodomain of BRD4 in Complex with Otx-015, PDB code: 5wmd was solved by Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.22 / 1.27
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.865, 44.567, 77.846, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 17

The binding sites of Chlorine atom in the N-Terminal Bromodomain of BRD4 in Complex with Otx-015 (pdb code 5wmd). 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 N-Terminal Bromodomain of BRD4 in Complex with Otx-015, PDB code: 5wmd:

Chlorine binding site 1 out of 1 in the N-Terminal Bromodomain of BRD4 in Complex with Otx-015


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Terminal Bromodomain of BRD4 in Complex with Otx-015 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:15.4 occ:1.00 CL A:6JE201 0.0 15.4 1.0 C24 A:6JE201 1.7 13.7 1.0 C25 A:6JE201 2.7 13.3 1.0 C22 A:6JE201 2.7 13.4 1.0 H25 A:6JE201 2.8 15.9 1.0 H22 A:6JE201 2.9 16.1 1.0 HB3 A:ASP145 3.1 21.4 1.0 HB2 A:ASP145 3.7 21.4 1.0 CB A:ASP145 3.8 17.8 1.0 SD A:MET149 3.8 12.4 1.0 HZ2 A:TRP81 3.9 16.9 1.0 OD2 A:ASP145 3.9 24.9 1.0 C27 A:6JE201 4.0 11.6 1.0 C20 A:6JE201 4.0 12.9 1.0 HE1 A:MET149 4.2 16.3 1.0 CG A:ASP145 4.3 21.6 1.0 C29 A:6JE201 4.5 11.9 1.0 CE A:MET149 4.5 13.6 1.0 HH2 A:TRP81 4.6 17.6 1.0 CZ2 A:TRP81 4.6 14.1 1.0 HE3 A:MET149 4.6 16.3 1.0 H27 A:6JE201 4.8 13.9 1.0 H20 A:6JE201 4.9 15.5 1.0 CH2 A:TRP81 5.0 14.7 1.0 O A:HOH430 5.0 32.1 0.9

H.G.Ozer, D.El-Gamal, B.Powell, Z.A.Hing, J.S.Blachly, B.Harrington, S.Mitchell, N.R.Grieselhuber, K.Williams, T.H.Lai, L.Alinari, R.A.Baiocchi, L.Brinton, E.Baskin, M.Cannon, L.Beaver, V.M.Goettl, D.M.Lucas, J.A.Woyach, D.Sampath, A.M.Lehman, L.Yu, J.Zhang, Y.Ma, Y.Zhang, W.Spevak, S.Shi, P.Severson, R.Shellooe, H.Carias, G.Tsang, K.Dong, T.Ewing, A.Marimuthu, C.Tantoy, J.Walters, L.Sanftner, H.Rezaei, M.Nespi, B.Matusow, G.Habets, P.Ibrahim, C.Zhang, E.A.Mathe, G.Bollag, J.C.Byrd, R.Lapalombella. BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, A Novel Structurally Distinct Bet Inhibitor. Cancer Discov V. 8 458 2018.
ISSN: ESSN 2159-8290
PubMed: 29386193
DOI: 10.1158/2159-8290.CD-17-0902