Chlorine in PDB 4nra: Crystal Structure of the Bromodomain of Human BAZ2B in Complex with Compound-6 E11322

The structure of Crystal Structure of the Bromodomain of Human BAZ2B in Complex with Compound-6 E11322, PDB code: 4nra was solved by A.Chaikuad, I.Felletar, F.M.Ferguson, P.Filippakopoulos, O.Fedorov, F.Vondelft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.52 / 1.85
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	81.477, 96.377, 57.705, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.2

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain of Human BAZ2B in Complex with Compound-6 E11322 (pdb code 4nra). 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 of Human BAZ2B in Complex with Compound-6 E11322, PDB code: 4nra:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human BAZ2B in Complex with Compound-6 E11322


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 of Human BAZ2B in Complex with Compound-6 E11322 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2006 b:51.6 occ:0.95 CL A:2LW2006 0.0 51.6 0.9 CAL A:2LW2006 1.7 42.4 0.9 CAD A:2LW2006 2.7 56.9 0.9 CAF A:2LW2006 2.8 36.8 0.9 O A:HOH2191 3.4 39.1 1.0 O A:TRP1887 3.5 31.9 1.0 O A:HOH2188 3.8 30.4 1.0 CAE A:2LW2006 4.0 42.1 0.9 CAP A:2LW2006 4.0 39.8 0.9 O A:HOH2190 4.0 41.6 1.0 CE3 A:TRP1887 4.0 32.8 1.0 O A:HOH2255 4.3 49.4 1.0 C A:TRP1887 4.3 25.4 1.0 CAO A:2LW2006 4.5 55.4 0.9 O A:HOH2189 4.5 33.6 1.0 CZ3 A:TRP1887 4.6 32.1 1.0 CA A:PRO1888 4.7 24.7 1.0 N A:PRO1888 5.0 24.8 1.0

F.M.Ferguson, O.Fedorov, A.Chaikuad, M.Philpott, J.R.Muniz, I.Felletar, F.Von Delft, T.Heightman, S.Knapp, C.Abell, A.Ciulli. Targeting Low-Druggability Bromodomains: Fragment Based Screening and Inhibitor Design Against the BAZ2B Bromodomain. J.Med.Chem. V. 56 10183 2013.
ISSN: ISSN 0022-2623
PubMed: 24304323
DOI: 10.1021/JM401582C