Chlorine in PDB 7rem: Crystal Structure of the First Bromodomain (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050

The structure of Crystal Structure of the First Bromodomain (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050, PDB code: 7rem was solved by M.R.Karim, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.30 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.14, 44.09, 78.47, 90, 90, 90
R / Rfree (%)	17.8 / 22.6

The structure of Crystal Structure of the First Bromodomain (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050 also contains other interesting chemical elements:

Fluorine

(F)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050 (pdb code 7rem). 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 (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050, PDB code: 7rem:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050


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 BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.5 occ:1.00 CL39 A:4OF201 0.0 20.5 1.0 C38 A:4OF201 1.8 17.4 1.0 C07 A:4OF201 2.7 16.7 1.0 C37 A:4OF201 2.8 16.1 1.0 N06 A:4OF201 2.9 16.1 1.0 O A:HOH380 3.4 23.3 1.0 CZ3 A:TRP81 3.8 18.5 1.0 CD2 A:LEU92 3.9 19.0 1.0 CH2 A:TRP81 4.0 15.6 1.0 C08 A:4OF201 4.0 12.3 1.0 C36 A:4OF201 4.1 14.2 1.0 C03 A:4OF201 4.3 20.1 1.0 S05 A:4OF201 4.4 15.7 1.0 C09 A:4OF201 4.5 12.8 1.0 C01 A:4OF201 4.7 18.6 1.0 C02 A:4OF201 4.7 15.2 1.0 F27 A:4OF201 4.9 20.6 1.0

M.R.Karim, E.Schonbrunn. Crystal Structure of the First Bromodomain (BD1) of Human BRD4 in Complex with Dual BRD4-JAK2 Inhibitor PN1-050 To Be Published.