Fluorine in PDB 6epr: The ATAD2 Bromodomain in Complex with Compound Uzh-DS15

All present enzymatic activity of The ATAD2 Bromodomain in Complex with Compound Uzh-DS15:
3.6.1.3;

The structure of The ATAD2 Bromodomain in Complex with Compound Uzh-DS15, PDB code: 6epr was solved by P.Sledz, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.89 / 2.05
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.087, 80.087, 137.844, 90.00, 90.00, 120.00
R / Rfree (%)	19.6 / 23.2

The binding sites of Fluorine atom in the The ATAD2 Bromodomain in Complex with Compound Uzh-DS15 (pdb code 6epr). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the The ATAD2 Bromodomain in Complex with Compound Uzh-DS15, PDB code: 6epr:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The ATAD2 Bromodomain in Complex with Compound Uzh-DS15


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The ATAD2 Bromodomain in Complex with Compound Uzh-DS15 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:56.5 occ:1.00 FAE A:BQE1201 0.0 56.5 1.0 CBH A:BQE1201 1.4 57.8 1.0 FAF A:BQE1201 2.2 58.8 1.0 CAQ A:BQE1201 2.4 62.6 1.0 CAP A:BQE1201 2.4 46.2 1.0 NH1 A:ARG1077 3.1 33.0 1.0 O A:HOH1335 3.2 51.4 1.0 O A:HOH1368 3.5 46.6 1.0 CAM A:BQE1201 3.7 57.2 1.0 CAL A:BQE1201 3.7 48.1 1.0 CBE A:BQE1201 4.2 53.3 1.0 CZ A:ARG1077 4.4 39.5 1.0 O A:HOH1325 4.6 35.6 1.0 NH2 A:ARG1077 4.8 35.2 1.0 CB A:VAL1008 4.8 40.1 1.0

Fluorine binding site 2 out of 2 in the The ATAD2 Bromodomain in Complex with Compound Uzh-DS15


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The ATAD2 Bromodomain in Complex with Compound Uzh-DS15 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:58.8 occ:1.00 FAF A:BQE1201 0.0 58.8 1.0 CBH A:BQE1201 1.4 57.8 1.0 FAE A:BQE1201 2.2 56.5 1.0 CAQ A:BQE1201 2.4 62.6 1.0 CAP A:BQE1201 2.4 46.2 1.0 CAM A:BQE1201 2.9 57.2 1.0 CAL A:BQE1201 2.9 48.1 1.0 CG1 A:ILE1074 3.3 42.3 1.0 CD1 A:ILE1074 3.3 47.1 1.0 CBE A:BQE1201 3.5 53.3 1.0 NH1 A:ARG1077 3.9 33.0 1.0 CG2 A:VAL1008 3.9 53.6 1.0 CB A:VAL1008 4.2 40.1 1.0 CG1 A:VAL1008 4.7 42.4 1.0 CB A:ILE1074 4.7 41.1 1.0 CAK A:BQE1201 4.7 53.8 1.0 CAO A:BQE1201 4.8 50.5 1.0

P.Sledz, P.Sledz, A.Caflisch. N/A N/A.