Fluorine in PDB 4o7b: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Sb-284847-Bt

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Sb-284847-Bt, PDB code: 4o7b was solved by S.W.Ember, J.-Y.Zhu, C.Watts, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.81 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.448, 43.967, 78.885, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 18

The binding sites of Fluorine atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Sb-284847-Bt (pdb code 4o7b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Sb-284847-Bt, PDB code: 4o7b:

Fluorine binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Sb-284847-Bt


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with Sb-284847-Bt within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:17.3 occ:1.00 F32 A:2RJ201 0.0 17.3 1.0 C29 A:2RJ201 1.3 14.7 1.0 C28 A:2RJ201 2.4 13.6 1.0 C30 A:2RJ201 2.4 14.3 1.0 H281 A:2RJ201 2.6 16.3 1.0 H301 A:2RJ201 2.6 17.2 1.0 HD1 A:PHE83 2.7 7.6 1.0 HG3 A:MET132 2.9 8.0 1.0 O A:HOH356 3.0 16.7 1.0 O A:HOH410 3.2 24.4 1.0 HG2 A:MET132 3.3 8.0 1.0 CD1 A:PHE83 3.4 6.3 1.0 HE1 A:PHE83 3.5 8.3 1.0 CG A:MET132 3.5 6.7 1.0 C27 A:2RJ201 3.6 13.6 1.0 C31 A:2RJ201 3.6 13.8 1.0 O A:MET105 3.8 8.0 1.0 CE1 A:PHE83 3.8 6.9 1.0 HB2 A:CYS136 3.9 8.6 1.0 O A:MET132 3.9 6.9 1.0 HA A:PHE83 4.0 5.6 1.0 C26 A:2RJ201 4.1 12.6 1.0 HG21 A:VAL87 4.2 8.0 1.0 HG22 A:VAL87 4.2 8.0 1.0 HA A:ASP106 4.2 6.5 1.0 HA A:MET132 4.3 5.6 1.0 O A:HOH317 4.3 11.9 1.0 H271 A:2RJ201 4.4 16.3 1.0 H311 A:2RJ201 4.4 16.6 1.0 CG A:PHE83 4.5 5.5 1.0 SD A:MET132 4.5 6.7 1.0 HB3 A:PHE83 4.5 6.4 1.0 CG2 A:VAL87 4.5 6.7 1.0 HG23 A:VAL87 4.6 8.0 1.0 C A:MET132 4.6 5.7 1.0 HB2 A:ASN135 4.6 7.8 1.0 HH A:TYR97 4.7 10.2 1.0 HB3 A:ASP106 4.7 7.9 1.0 CB A:MET132 4.7 6.0 1.0 OH A:TYR97 4.8 8.5 1.0 CA A:MET132 4.8 4.7 1.0 CA A:PHE83 4.8 4.7 1.0 CB A:CYS136 4.9 7.2 1.0 CB A:PHE83 4.9 5.4 1.0 O A:PRO82 4.9 7.1 1.0 H A:CYS136 4.9 8.2 1.0 C A:MET105 4.9 6.6 1.0

S.W.Ember, J.Y.Zhu, S.H.Olesen, M.P.Martin, A.Becker, N.Berndt, G.I.Georg, E.Schonbrunn. Acetyl-Lysine Binding Site of Bromodomain-Containing Protein 4 (BRD4) Interacts with Diverse Kinase Inhibitors. Acs Chem.Biol. V. 9 1160 2014.
ISSN: ISSN 1554-8929
PubMed: 24568369
DOI: 10.1021/CB500072Z