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Chlorine in PDB 4kcx: Brdt in Complex with Dinaciclib

Protein crystallography data

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

Chlorine Binding Sites:

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 4kcx

Go back to Chlorine Binding Sites List in 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

Reference:

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
Page generated: Fri Jul 11 17:44:05 2025

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