Chlorine in PDB 4nqm: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Triazolo-Phthalazine Ligand

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Triazolo-Phthalazine Ligand, PDB code: 4nqm was solved by P.Filippakopoulos, S.Picaud, I.Felletar, S.Martin, O.Fedorov, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.86 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.510, 46.570, 62.380, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.3

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Triazolo-Phthalazine Ligand (pdb code 4nqm). 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 BRD4 in Complex with A Triazolo-Phthalazine Ligand, PDB code: 4nqm:

Chlorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Triazolo-Phthalazine Ligand


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 BRD4 in Complex with A Triazolo-Phthalazine Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.1 occ:0.75 CL A:Y1Z201 0.0 20.1 0.8 CBJ A:Y1Z201 1.8 20.4 1.0 CBI A:Y1Z201 2.7 16.0 1.0 CBE A:Y1Z201 2.8 11.2 1.0 OBD A:Y1Z201 3.1 19.4 1.0 SBB A:Y1Z201 3.3 16.9 1.0 OBC A:Y1Z201 3.6 20.7 1.0 CBH A:Y1Z201 4.0 16.6 1.0 CBF A:Y1Z201 4.0 15.2 1.0 CBG A:Y1Z201 4.5 21.3 1.0 CAB A:Y1Z201 4.8 16.3 1.0 NAU A:Y1Z201 4.9 16.1 1.0 CAC A:Y1Z201 5.0 16.1 1.0

P.Filippakopoulos, S.Picaud, I.Felletar, S.Martin, O.Fedorov, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp. Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Triazolo-Phthalazine Ligand To Be Published.