Fluorine in PDB 7ko0: Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179

The structure of Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179, PDB code: 7ko0 was solved by M.R.Karim, J.Y.Zhu, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.36 / 1.90
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	52.4, 72.64, 33.36, 90, 90, 90
R / Rfree (%)	17.3 / 19.9

The structure of Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179 (pdb code 7ko0). 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 Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179, PDB code: 7ko0:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 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 Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:30.3 occ:1.00 F27 A:5W2501 0.0 30.3 1.0 C26 A:5W2501 1.4 30.7 1.0 C28 A:5W2501 2.4 30.1 1.0 C25 A:5W2501 2.4 26.8 1.0 N30 A:5W2501 2.6 36.1 1.0 C29 A:5W2501 2.8 36.5 1.0 N04 A:5W2501 3.1 26.5 1.0 O A:HOH639 3.2 29.4 1.0 CD2 A:LEU385 3.3 32.1 1.0 C03 A:5W2501 3.5 26.5 1.0 CD1 A:LEU385 3.6 23.3 1.0 CB A:LEU385 3.6 27.7 1.0 CG A:LEU385 3.7 31.9 1.0 C39 A:5W2501 3.7 25.3 1.0 C24 A:5W2501 3.7 23.7 1.0 O10 A:5W2501 3.8 34.0 1.0 C31 A:5W2501 3.9 40.4 1.0 S05 A:5W2501 3.9 29.2 1.0 C12 A:5W2501 4.0 25.6 1.0 O38 A:5W2501 4.1 31.6 1.0 C37 A:5W2501 4.1 47.8 1.0 C02 A:5W2501 4.1 27.9 1.0 O11 A:5W2501 4.2 29.5 1.0 CD1 A:LEU387 4.2 28.8 1.0 C40 A:5W2501 4.3 26.1 1.0 O A:LEU385 4.5 38.9 1.0 CL1 A:5W2501 4.6 31.7 1.0 CA A:LEU385 4.6 28.8 1.0 CD2 A:LEU387 4.9 28.1 1.0 C32 A:5W2501 4.9 49.0 1.0 N23 A:5W2501 4.9 26.0 1.0 N41 A:5W2501 4.9 20.8 1.0 C15 A:5W2501 4.9 21.2 1.0

M.R.Karim, J.Y.Zhu, E.Schonbrunn. Crystal Structure of the Second Bromodomain (BD2) of Human BRD4 Bound to SG3-179 To Be Published.