Chlorine in PDB 6wwb: Crystal Structure of the Second Bromodomain of Human BRD2 in Complex with the Compound 3B

The structure of Crystal Structure of the Second Bromodomain of Human BRD2 in Complex with the Compound 3B, PDB code: 6wwb was solved by S.W.White, M.Yun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.94 / 1.31
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.377, 71.664, 31.944, 90, 90, 90
R / Rfree (%)	12.4 / 14.6

The binding sites of Chlorine atom in the Crystal Structure of the Second Bromodomain of Human BRD2 in Complex with the Compound 3B (pdb code 6wwb). 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 Second Bromodomain of Human BRD2 in Complex with the Compound 3B, PDB code: 6wwb:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Second Bromodomain of Human BRD2 in Complex with the Compound 3B


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 Second Bromodomain of Human BRD2 in Complex with the Compound 3B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:18.2 occ:1.00 CL11 A:YA3504 0.0 18.2 1.0 C10 A:YA3504 1.8 14.7 1.0 C12 A:YA3504 2.7 15.2 1.0 C09 A:YA3504 2.7 13.6 1.0 H121 A:YA3504 2.8 18.3 1.0 H091 A:YA3504 2.8 16.4 1.0 HB3 A:ASP434 3.3 23.0 1.0 HB2 A:ASP434 3.5 23.0 1.0 O A:HOH606 3.7 46.3 1.0 CB A:ASP434 3.9 19.2 1.0 HZ2 A:TRP370 3.9 18.1 1.0 C13 A:YA3504 4.0 14.2 1.0 C08 A:YA3504 4.0 12.2 1.0 SD A:MET438 4.0 16.8 1.0 OD2 A:ASP434 4.3 24.4 1.0 C07 A:YA3504 4.5 12.0 1.0 HE1 A:MET438 4.5 20.8 1.0 O A:HOH681 4.6 28.0 1.0 CG A:ASP434 4.6 22.4 1.0 CZ2 A:TRP370 4.6 15.1 1.0 H131 A:YA3504 4.7 17.0 1.0 H081 A:YA3504 4.7 14.7 1.0 HH2 A:TRP370 4.8 18.5 1.0 H242 A:YA3504 4.8 45.1 1.0 H241 A:YA3504 4.8 45.1 1.0 CE A:MET438 4.9 17.3 1.0 HA A:VAL435 5.0 13.6 1.0 C A:ASP434 5.0 14.0 1.0

Z.Rankovic, J.Min, A.Mayasundari, F.Keramatnia, B.Jonchere, S.W.Yang, J.A.Jarusiewicz, M.Actis, S.Das, B.M.Young, P.J.Slavish, L.Yang, Y.Li, X.Fu, S.H.Garrett, M.K.Yun, Z.Li, S.Nithianantham, S.C.Chai, T.Chen, A.A.Shelat, R.E.Lee, G.Nishiguchi, S.W.White, M.F.Roussel, P.R.Potts, M.Fischer. Phenyl-Glutarimides: Alternative Cereblon Binders For the Design of Protacs. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 34614283
DOI: 10.1002/ANIE.202108848