Chlorine in PDB 5ibn: Ultra High Resolution Crystal Structure of the Apo- Form of Second Bromodomain of BRD2.

The structure of Ultra High Resolution Crystal Structure of the Apo- Form of Second Bromodomain of BRD2., PDB code: 5ibn was solved by S.K.Tripathi, B.Padmanabhan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 0.94
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.080, 52.460, 71.370, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 14.5

The binding sites of Chlorine atom in the Ultra High Resolution Crystal Structure of the Apo- Form of Second Bromodomain of BRD2. (pdb code 5ibn). 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 Ultra High Resolution Crystal Structure of the Apo- Form of Second Bromodomain of BRD2., PDB code: 5ibn:

Chlorine binding site 1 out of 1 in the Ultra High Resolution Crystal Structure of the Apo- Form of Second Bromodomain of BRD2.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ultra High Resolution Crystal Structure of the Apo- Form of Second Bromodomain of BRD2. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:9.7 occ:0.50 OE1 A:GLN412 3.1 9.2 0.6 NH1 A:ARG419 3.2 8.0 1.0 CD A:ARG419 3.8 8.6 1.0 CA A:ALA416 4.0 6.6 1.0 CD A:GLN412 4.1 16.4 0.6 CB A:ALA416 4.2 7.7 1.0 CZ A:ARG419 4.3 6.9 1.0 N A:ALA416 4.4 6.2 1.0 O A:HOH763 4.4 18.1 1.0 NE A:ARG419 4.5 7.5 1.0 O A:HOH685 4.5 29.4 1.0 NE2 A:GLN412 4.5 17.0 0.6 O A:HOH671 4.5 12.6 1.0 C A:ALA415 4.8 5.9 1.0 O A:ALA415 4.9 6.3 1.0 CB A:ARG419 5.0 6.1 1.0 CG A:ARG419 5.0 6.2 1.0

S.Tripathi, S.Mathur, P.Deshmukh, R.Manjula, B.Padmanabhan. A Novel Phenanthridionone Based Scaffold As A Potential Inhibitor of the BRD2 Bromodomain: Crystal Structure of the Complex Plos One V. 11 56344 2016.
ISSN: ESSN 1932-6203
PubMed: 27243809
DOI: 10.1371/JOURNAL.PONE.0156344