Chlorine in PDB 4kcx: Brdt in Complex with Dinaciclib

The structure of Brdt in Complex with Dinaciclib, PDB code: 4kcx was solved by M.P.Martin, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.81 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.720, 29.950, 71.380, 90.00, 94.12, 90.00
R / Rfree (%)	20.9 / 25.3

The binding sites of Chlorine atom in the Brdt in Complex with Dinaciclib (pdb code 4kcx). 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 Brdt in Complex with Dinaciclib, PDB code: 4kcx:

Chlorine binding site 1 out of 1 in the Brdt in Complex with Dinaciclib


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Brdt in Complex with Dinaciclib within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:20.1 occ:1.00 O B:ASN109 2.7 31.4 1.0 O A:ASN109 2.7 27.3 1.0 O A:LEU107 2.7 16.1 1.0 O B:LEU107 2.8 22.0 1.0 O B:HOH354 2.9 41.0 1.0 O B:TYR106 2.9 23.3 1.0 O A:TYR106 3.0 19.5 1.0 C A:LEU107 3.3 20.9 1.0 C B:LEU107 3.4 22.6 1.0 CA A:LEU107 3.7 13.7 1.0 CA B:LEU107 3.8 21.8 1.0 C B:ASN109 3.9 40.6 1.0 C A:ASN109 3.9 39.1 1.0 C B:TYR106 4.0 28.8 1.0 C A:TYR106 4.0 22.6 1.0 N A:LEU107 4.3 19.2 1.0 N B:LEU107 4.3 21.4 1.0 N A:TYR108 4.3 19.5 1.0 N B:ASN109 4.4 30.6 1.0 N B:TYR108 4.4 22.3 1.0 O B:HOH315 4.5 54.7 1.0 N A:ASN109 4.5 26.4 1.0 O A:HOH343 4.5 49.0 1.0 O A:HOH368 4.6 43.6 1.0 C B:TYR108 4.6 26.2 1.0 C A:TYR108 4.6 21.0 1.0 CA B:ASN109 4.7 33.1 1.0 N B:LYS110 4.8 33.6 1.0 N A:LYS110 4.8 34.1 1.0 CA B:LYS110 4.8 31.2 1.0 CA A:ASN109 4.8 29.0 1.0 CA A:LYS110 4.8 31.6 1.0 O A:TYR108 4.9 26.6 1.0 O B:TYR108 4.9 30.7 1.0 CA A:TYR108 4.9 21.6 1.0 CB A:LEU107 5.0 21.7 1.0 CA B:TYR108 5.0 26.1 1.0

M.P.Martin, S.H.Olesen, G.I.Georg, E.Schonbrunn. Cyclin-Dependent Kinase Inhibitor Dinaciclib Interacts with the Acetyl-Lysine Recognition Site of Bromodomains. Acs Chem.Biol. V. 8 2360 2013.
ISSN: ISSN 1554-8929
PubMed: 24007471
DOI: 10.1021/CB4003283