Potassium in PDB 4hbw: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Quinazoline Ligand

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Quinazoline Ligand, PDB code: 4hbw was solved by P.Filippakopoulos, S.Picaud, J.Qi, I.Felletar, F.Von Delft, C.Bountra, C.H.Arrowsmith, A.Edwards, P.V.Fish, M.E.Bunnage, A.S.Cook, D.R.Owen, 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)	29.60 / 1.69
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.650, 46.020, 77.310, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 22.8

The binding sites of Potassium atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Quinazoline Ligand (pdb code 4hbw). 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 A Quinazoline Ligand, PDB code: 4hbw:

Potassium binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Quinazoline 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 A Quinazoline Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:K203 b:21.1 occ:1.00 O A:ASN140 2.7 23.4 1.0 O A:ILE138 2.8 16.7 1.0 O A:HOH406 2.8 28.2 1.0 O A:TYR137 2.8 15.8 1.0 C A:ILE138 3.5 13.2 1.0 O A:HOH339 3.5 25.2 1.0 C A:ASN140 3.9 22.6 1.0 C A:TYR137 3.9 15.3 1.0 CA A:ILE138 4.0 12.9 1.0 N A:ASN140 4.3 13.9 1.0 N A:ILE138 4.4 13.6 1.0 N A:TYR139 4.4 14.1 1.0 C A:TYR139 4.5 13.6 1.0 CA A:LYS141 4.7 25.8 1.0 CA A:ASN140 4.7 12.2 1.0 N A:LYS141 4.7 22.2 1.0 CD A:PRO142 4.8 29.0 1.0 O A:TYR139 4.8 14.8 1.0 CA A:TYR139 5.0 14.1 1.0

P.V.Fish, P.Filippakopoulos, G.Bish, P.E.Brennan, M.E.Bunnage, A.S.Cook, O.Federov, B.S.Gerstenberger, H.Jones, S.Knapp, B.Marsden, K.Nocka, D.R.Owen, M.Philpott, S.Picaud, M.J.Primiano, M.J.Ralph, N.Sciammetta, J.D.Trzupek. Identification of A Chemical Probe For Bromo and Extra C-Terminal Bromodomain Inhibition Through Optimization of A Fragment-Derived Hit. J.Med.Chem. V. 55 9831 2012.
ISSN: ISSN 0022-2623
PubMed: 23095041
DOI: 10.1021/JM3010515