Chlorine in PDB 5vbq: Crystal Structure of the First Bromodomain of Human Brdt in Complex with BI2536

The structure of Crystal Structure of the First Bromodomain of Human Brdt in Complex with BI2536, PDB code: 5vbq was solved by S.W.Ember, J.-Y.Zhu, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.48 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.590, 31.000, 69.470, 90.00, 96.90, 90.00
R / Rfree (%)	14.4 / 17.2

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human Brdt in Complex with BI2536 (pdb code 5vbq). 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 First Bromodomain of Human Brdt in Complex with BI2536, PDB code: 5vbq:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human Brdt in Complex with BI2536


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 First Bromodomain of Human Brdt in Complex with BI2536 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:71.6 occ:1.00 HD21 A:ASN77 2.9 36.9 1.0 O A:HOH338 3.5 44.5 1.0 HH21 A:ARG54 3.5 61.7 1.0 ND2 A:ASN77 3.7 30.7 1.0 NH2 A:ARG54 3.8 51.4 1.0 HH22 A:ARG54 4.0 61.7 1.0 HD22 A:ASN77 4.2 36.9 1.0 HD2 A:LYS81 4.4 89.9 1.0 CZ A:ARG54 4.4 68.4 1.0 OD1 A:ASN77 4.4 23.6 1.0 HE A:ARG54 4.5 83.3 1.0 CG A:ASN77 4.5 21.6 1.0 NE A:ARG54 4.7 69.5 1.0

S.W.Ember, N.Berndt, J.-Y.Zhu, R.M.Karim, E.Schonbrunn. Dual Brd-PLK1 Inhibitors To Be Published.