Fluorine in PDB 7lay: Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179

The structure of Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179, PDB code: 7lay was solved by M.R.Karim, M.J.Bikowitz, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.73 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.007, 61.643, 93.732, 90, 90, 90
R / Rfree (%)	16.6 / 18.8

The structure of Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 (pdb code 7lay). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179, PDB code: 7lay:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179


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 (BD1) of Human BRD3 Bound to SG3-179 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:25.7 occ:1.00 F27 A:5W2201 0.0 25.7 1.0 C26 A:5W2201 1.4 23.4 1.0 C25 A:5W2201 2.3 20.3 1.0 C28 A:5W2201 2.4 19.2 1.0 N30 A:5W2201 2.6 22.8 1.0 C29 A:5W2201 2.9 24.5 1.0 C24 A:5W2201 3.6 17.2 1.0 O A:HOH363 3.6 20.6 1.0 C39 A:5W2201 3.7 16.4 1.0 OD2 A:ASP120 3.7 27.2 1.0 CG A:ASP120 3.8 26.8 1.0 O A:HOH359 3.9 31.6 1.0 C31 A:5W2201 4.0 27.8 1.0 OD1 A:ASP120 4.0 23.3 1.0 O38 A:5W2201 4.1 24.6 1.0 C40 A:5W2201 4.1 16.0 1.0 C37 A:5W2201 4.4 26.1 1.0 CB A:ASP120 4.4 20.0 1.0 C32 A:5W2201 4.5 32.8 1.0 N23 A:5W2201 4.7 15.1 1.0 O10 A:5W2201 4.8 21.6 1.0 OD1 A:ASN116 4.8 15.5 1.0 O A:HOH390 4.8 36.0 1.0 O11 A:5W2201 5.0 17.8 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:25.3 occ:1.00 F27 B:5W2201 0.0 25.3 1.0 C26 B:5W2201 1.4 19.1 1.0 C25 B:5W2201 2.4 14.8 1.0 C28 B:5W2201 2.4 16.4 1.0 N30 B:5W2201 2.6 25.4 1.0 C29 B:5W2201 2.9 23.1 1.0 O B:HOH357 3.5 15.2 1.0 O B:HOH342 3.5 37.1 1.0 C24 B:5W2201 3.6 13.5 1.0 C39 B:5W2201 3.7 16.3 1.0 OD2 B:ASP120 3.9 21.2 1.0 CG B:ASP120 4.0 15.8 1.0 O B:HOH337 4.0 24.5 1.0 C31 B:5W2201 4.0 31.9 1.0 O38 B:5W2201 4.1 25.4 1.0 C40 B:5W2201 4.1 14.7 1.0 OD1 B:ASP120 4.2 16.2 1.0 C37 B:5W2201 4.4 38.0 1.0 CB B:ASP120 4.5 13.3 1.0 C32 B:5W2201 4.7 38.5 1.0 N23 B:5W2201 4.8 14.4 1.0 O10 B:5W2201 4.8 17.7 1.0 O11 B:5W2201 4.8 17.2 1.0 OD1 B:ASN116 5.0 13.3 1.0

M.R.Karim, M.J.Bikowitz, E.Schonbrunn. Crystal Structure of the First Bromodomain (BD1) of Human BRD3 Bound to SG3-179 To Be Published.