Potassium in PDB 4nr8: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand, PDB code: 4nr8 was solved by P.Filippakopoulos, S.Picaud, I.Felletar, D.Hay, O.Fedorov, S.Martin, F.Vondelft, P.Brennan, C.H.Arrowsmith, A.M.Edwards, C.Bountra, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.55 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.052, 50.755, 58.661, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.6

The binding sites of Potassium atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand (pdb code 4nr8). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand, PDB code: 4nr8:

Potassium binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:K201 b:6.9 occ:1.00 O A:HOH335 3.1 21.9 1.0 N A:LYS57 3.5 13.3 1.0 CA A:PRO56 3.7 12.2 1.0 CB A:PRO56 4.0 17.1 1.0 O A:LYS57 4.1 11.0 1.0 C A:PRO56 4.2 9.2 1.0 CA A:LYS57 4.5 11.1 1.0 CB A:LYS57 4.7 13.5 1.0 C A:LYS57 4.8 12.7 1.0 CG A:LYS57 4.9 23.9 1.0

P.Filippakopoulos, D.Hay, F.Von Delft, A.M.Edwards, S.Picaud, O.Fedorov, P.Brennan, C.Bountra. Crystal Structure of the First Bromodomain of Human BRD4 in Complex with An Isoxazolyl-Benzimidazole Ligand To Be Published.