Fluorine in PDB 6hie: The ATAD2 Bromodomain in Complex with Compound 17

All present enzymatic activity of The ATAD2 Bromodomain in Complex with Compound 17:
3.6.1.3;

The structure of The ATAD2 Bromodomain in Complex with Compound 17, PDB code: 6hie 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)	48.87 / 2.05
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	80.230, 80.230, 137.472, 90.00, 90.00, 120.00
R / Rfree (%)	20.2 / 23.9

The binding sites of Fluorine atom in the The ATAD2 Bromodomain in Complex with Compound 17 (pdb code 6hie). 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 17, PDB code: 6hie:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the The ATAD2 Bromodomain in Complex with Compound 17


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 17 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:72.7 occ:1.00 FAD A:G7Q1201 0.0 72.7 1.0 CBA A:G7Q1201 1.4 69.1 1.0 FAE A:G7Q1201 2.2 67.8 1.0 CAM A:G7Q1201 2.4 59.2 1.0 CAN A:G7Q1201 2.4 71.6 1.0 NH1 A:ARG1077 3.3 45.6 1.0 O A:HOH1359 3.7 56.1 1.0 CAI A:G7Q1201 3.7 60.6 1.0 CAJ A:G7Q1201 3.7 66.7 1.0 CAX A:G7Q1201 4.2 65.6 1.0 CZ A:ARG1077 4.4 48.8 1.0 NH2 A:ARG1077 4.8 46.7 1.0

Fluorine binding site 2 out of 2 in the The ATAD2 Bromodomain in Complex with Compound 17


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 17 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:67.8 occ:1.00 FAE A:G7Q1201 0.0 67.8 1.0 CBA A:G7Q1201 1.4 69.1 1.0 FAD A:G7Q1201 2.2 72.7 1.0 CAN A:G7Q1201 2.3 71.6 1.0 CAM A:G7Q1201 2.4 59.2 1.0 CAJ A:G7Q1201 2.8 66.7 1.0 CAI A:G7Q1201 2.9 60.6 1.0 CAX A:G7Q1201 3.4 65.6 1.0 CG1 A:ILE1074 3.5 49.2 1.0 CD1 A:ILE1074 3.6 54.1 1.0 NH1 A:ARG1077 3.7 45.6 1.0 CG2 A:VAL1008 4.3 57.3 1.0 CB A:VAL1008 4.4 46.7 1.0 CAH A:G7Q1201 4.5 64.3 1.0 CG1 A:VAL1008 4.8 46.4 1.0 O A:HOH1359 4.9 56.1 1.0 CZ A:ARG1077 5.0 48.8 1.0 CB A:ILE1074 5.0 45.2 1.0

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