Chlorine in PDB 8fta: Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16

The structure of Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16, PDB code: 8fta was solved by R.Nunez, B.C.Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.51 / 1.78
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.657, 49.305, 33.544, 90, 97.75, 90
R / Rfree (%)	17.8 / 20.7

The structure of Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 (pdb code 8fta). 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 Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16, PDB code: 8fta:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16


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 Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:23.7 occ:1.00 CLAS A:Y8X301 0.0 23.7 1.0 CAA A:Y8X301 1.7 23.9 1.0 CAB A:Y8X301 2.7 19.6 1.0 CAF A:Y8X301 2.8 24.0 1.0 OAQ A:Y8X301 2.8 22.1 1.0 O A:LEU255 3.1 21.1 1.0 CAG A:Y8X301 3.1 25.0 1.0 O A:HOH435 3.3 19.9 1.0 OH A:TYR220 3.6 20.9 1.0 CD1 A:LEU255 3.8 23.1 1.0 N A:ALA259 3.9 19.2 1.0 CB A:ALA259 4.0 22.4 1.0 C A:LEU255 4.0 20.3 1.0 CAC A:Y8X301 4.0 25.7 1.0 CD2 A:PHE208 4.0 26.9 1.0 CG A:LEU255 4.0 21.0 1.0 CAE A:Y8X301 4.0 24.8 1.0 O A:ILE228 4.1 18.2 1.0 CB A:ASN258 4.1 19.2 1.0 CA A:LEU255 4.2 18.7 1.0 CA A:ALA259 4.3 21.4 1.0 CE2 A:PHE208 4.3 27.4 1.0 NAJ A:Y8X301 4.5 21.1 1.0 CAD A:Y8X301 4.5 24.3 1.0 C A:ASN258 4.6 20.8 1.0 CB A:LEU255 4.7 18.6 1.0 CZ A:TYR220 4.9 20.1 1.0 CA A:ASN258 4.9 21.0 1.0

R.Nunez, B.C.Smith. Crystal Structure of the Second Bromodomain of Human Polybromo-1 (PB1) in Complex with Compound 16 To Be Published.