Chlorine in PDB 7lay: Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179

The structure of Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179, PDB code: 7lay was solved by M.R.Karim, M.J.Bikowitz, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.73 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.007, 61.643, 93.732, 90, 90, 90
R / Rfree (%)	16.6 / 18.8

The structure of Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 (pdb code 7lay). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179, PDB code: 7lay:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179


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 (BD1) of Human BRD3 Bound to SG3-179 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.3 occ:1.00 CL1 A:5W2201 0.0 19.3 1.0 C02 A:5W2201 1.8 18.2 1.0 C13 A:5W2201 2.7 17.6 1.0 C03 A:5W2201 2.7 16.3 1.0 N04 A:5W2201 2.9 17.1 1.0 O A:HOH340 3.4 29.0 1.0 CZ3 A:TRP57 3.7 18.3 1.0 CH2 A:TRP57 3.7 19.0 1.0 C14 A:5W2201 4.0 15.0 1.0 C12 A:5W2201 4.0 14.6 1.0 C09 A:5W2201 4.0 20.5 1.0 CD2 A:LEU68 4.1 16.9 1.0 S05 A:5W2201 4.4 17.5 1.0 C08 A:5W2201 4.4 18.1 1.0 C15 A:5W2201 4.5 14.9 1.0 C06 A:5W2201 4.5 17.2 1.0 CE3 A:TRP57 5.0 18.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:18.0 occ:1.00 CL1 B:5W2201 0.0 18.0 1.0 C02 B:5W2201 1.8 14.2 1.0 C03 B:5W2201 2.7 16.6 1.0 C13 B:5W2201 2.7 15.3 1.0 N04 B:5W2201 2.9 17.2 1.0 O B:HOH343 3.3 26.0 1.0 NZ B:LYS67 3.6 35.5 1.0 CH2 B:TRP57 3.7 16.0 1.0 CZ3 B:TRP57 3.8 15.3 1.0 C14 B:5W2201 4.0 14.0 1.0 C12 B:5W2201 4.0 15.5 1.0 C09 B:5W2201 4.0 16.1 1.0 CD2 B:LEU68 4.2 17.7 1.0 S05 B:5W2201 4.3 16.0 1.0 C15 B:5W2201 4.5 14.8 1.0 C06 B:5W2201 4.5 14.8 1.0 C08 B:5W2201 4.5 15.1 1.0 O B:HOH406 4.7 30.5 1.0 O B:HOH381 4.8 34.3 1.0 CZ2 B:TRP57 5.0 16.9 1.0

M.R.Karim, M.J.Bikowitz, E.Schonbrunn. Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 To Be Published.