Fluorine in PDB 7t0s: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864, PDB code: 7t0s was solved by D.A.Kuntz, G.G.Prive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.78 / 1.86
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.74, 72.29, 55.33, 90, 108.32, 90
R / Rfree (%)	21.2 / 25

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 also contains other interesting chemical elements:

Chlorine

(Cl)

9 atoms

The binding sites of Fluorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 (pdb code 7t0s). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864, PDB code: 7t0s:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864


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 BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:28.0 occ:0.93 F03 A:E2E201 0.0 28.0 0.9 C02 A:E2E201 1.4 27.9 0.9 H161 A:E2E201 2.3 29.6 0.9 C01 A:E2E201 2.4 28.9 0.9 C04 A:E2E201 2.4 23.4 0.9 H011 A:E2E201 2.6 34.7 0.9 C16 A:E2E201 2.9 24.6 0.9 C05 A:E2E201 3.2 24.1 0.9 C06 A:E2E201 3.3 25.3 0.9 C39 A:E2E201 3.6 28.8 0.9 C37 A:E2E201 3.7 24.6 0.9 O14 A:E2E201 3.9 23.7 0.9 C12 A:E2E201 3.9 26.7 0.9 N38 A:E2E201 4.1 25.1 0.9 C13 A:E2E201 4.3 31.9 0.9 H391 A:E2E201 4.4 34.6 0.9 C17 A:E2E201 4.5 22.3 0.9 C07 A:E2E201 4.6 24.2 0.9 N18 A:E2E201 4.7 23.1 0.9 C10 A:E2E201 5.0 27.0 0.9

Fluorine binding site 2 out of 4 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864


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 BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:26.8 occ:0.72 F03 B:E2E201 0.0 26.8 0.7 F03 B:E2E201 0.1 26.8 0.3 C02 B:E2E201 1.4 26.7 0.7 C02 B:E2E201 1.4 26.8 0.3 H161 B:E2E201 2.3 29.1 0.7 H161 B:E2E201 2.3 29.7 0.3 C01 B:E2E201 2.4 27.8 0.7 C01 B:E2E201 2.4 27.6 0.3 C04 B:E2E201 2.4 25.4 0.7 H B:GLU115 2.5 30.7 1.0 C04 B:E2E201 2.5 26.3 0.3 H011 B:E2E201 2.5 33.2 0.3 H011 B:E2E201 2.5 33.4 0.7 C16 B:E2E201 2.8 24.2 0.7 C16 B:E2E201 2.9 24.7 0.3 HB2 B:GLU115 3.0 36.2 1.0 C05 B:E2E201 3.2 25.7 0.7 C05 B:E2E201 3.2 27.2 0.3 N B:GLU115 3.3 25.5 1.0 H B:HIS116 3.3 28.4 1.0 C06 B:E2E201 3.3 24.2 0.7 C06 B:E2E201 3.3 24.3 0.3 HA B:MET114 3.3 27.7 1.0 HG3 B:GLU115 3.6 50.4 1.0 C39 B:E2E201 3.6 28.0 0.7 ND1 B:HIS116 3.6 42.4 1.0 C39 B:E2E201 3.7 27.9 0.3 C37 B:E2E201 3.7 25.2 0.7 C37 B:E2E201 3.7 25.7 0.3 CB B:GLU115 3.8 30.1 1.0 O14 B:E2E201 3.8 24.3 0.7 C12 B:E2E201 3.8 25.0 0.3 C12 B:E2E201 3.9 24.7 0.7 O14 B:E2E201 3.9 24.6 0.3 HE1 B:HIS116 3.9 45.5 1.0 CE1 B:HIS116 3.9 37.9 1.0 C B:MET114 4.0 22.4 1.0 CA B:GLU115 4.0 26.4 1.0 N B:HIS116 4.1 23.6 1.0 O B:GLN113 4.1 22.6 1.0 CG B:GLU115 4.1 42.0 1.0 CA B:MET114 4.1 23.1 1.0 N38 B:E2E201 4.1 25.7 0.7 N38 B:E2E201 4.1 26.3 0.3 C13 B:E2E201 4.2 27.4 0.3 C13 B:E2E201 4.3 24.6 0.7 H391 B:E2E201 4.4 33.7 0.7 H391 B:E2E201 4.4 33.5 0.3 CD B:GLU115 4.4 48.4 1.0 C17 B:E2E201 4.5 25.4 0.7 CG B:HIS116 4.5 29.6 1.0 C17 B:E2E201 4.5 25.3 0.3 C07 B:E2E201 4.5 24.2 0.7 C07 B:E2E201 4.5 24.4 0.3 C B:GLU115 4.6 25.6 1.0 N18 B:E2E201 4.7 25.1 0.7 N18 B:E2E201 4.7 25.7 0.3 HB3 B:GLU115 4.7 36.2 1.0 HB2 B:HIS116 4.8 31.6 1.0 OE1 B:GLU115 4.8 53.9 1.0 C B:GLN113 4.8 22.2 1.0 OE2 B:GLU115 4.8 50.0 1.0 NE2 B:HIS116 4.9 47.9 1.0 HB3 B:MET114 4.9 27.9 1.0 C10 B:E2E201 4.9 24.1 0.3 N B:MET114 4.9 20.8 1.0 C10 B:E2E201 4.9 24.4 0.7

Fluorine binding site 3 out of 4 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:26.8 occ:0.28 F03 B:E2E201 0.0 26.8 0.3 F03 B:E2E201 0.1 26.8 0.7 C02 B:E2E201 1.3 26.7 0.7 C02 B:E2E201 1.4 26.8 0.3 H161 B:E2E201 2.2 29.1 0.7 H161 B:E2E201 2.3 29.7 0.3 C01 B:E2E201 2.4 27.8 0.7 C01 B:E2E201 2.4 27.6 0.3 C04 B:E2E201 2.4 25.4 0.7 C04 B:E2E201 2.4 26.3 0.3 H B:GLU115 2.5 30.7 1.0 H011 B:E2E201 2.5 33.2 0.3 H011 B:E2E201 2.6 33.4 0.7 C16 B:E2E201 2.8 24.2 0.7 C16 B:E2E201 2.8 24.7 0.3 HB2 B:GLU115 3.0 36.2 1.0 C05 B:E2E201 3.1 25.7 0.7 C05 B:E2E201 3.2 27.2 0.3 C06 B:E2E201 3.3 24.2 0.7 N B:GLU115 3.3 25.5 1.0 C06 B:E2E201 3.3 24.3 0.3 HA B:MET114 3.3 27.7 1.0 H B:HIS116 3.3 28.4 1.0 HG3 B:GLU115 3.6 50.4 1.0 C37 B:E2E201 3.6 25.2 0.7 C39 B:E2E201 3.6 28.0 0.7 C39 B:E2E201 3.6 27.9 0.3 C37 B:E2E201 3.7 25.7 0.3 ND1 B:HIS116 3.7 42.4 1.0 CB B:GLU115 3.8 30.1 1.0 C12 B:E2E201 3.8 25.0 0.3 O14 B:E2E201 3.8 24.3 0.7 C12 B:E2E201 3.8 24.7 0.7 O14 B:E2E201 3.8 24.6 0.3 HE1 B:HIS116 3.9 45.5 1.0 C B:MET114 4.0 22.4 1.0 CE1 B:HIS116 4.0 37.9 1.0 O B:GLN113 4.0 22.6 1.0 CA B:MET114 4.0 23.1 1.0 CA B:GLU115 4.0 26.4 1.0 N B:HIS116 4.1 23.6 1.0 CG B:GLU115 4.1 42.0 1.0 N38 B:E2E201 4.1 25.7 0.7 N38 B:E2E201 4.1 26.3 0.3 C13 B:E2E201 4.2 27.4 0.3 C13 B:E2E201 4.2 24.6 0.7 H391 B:E2E201 4.4 33.7 0.7 H391 B:E2E201 4.4 33.5 0.3 C17 B:E2E201 4.4 25.4 0.7 CD B:GLU115 4.5 48.4 1.0 C17 B:E2E201 4.5 25.3 0.3 C07 B:E2E201 4.5 24.2 0.7 C07 B:E2E201 4.5 24.4 0.3 CG B:HIS116 4.5 29.6 1.0 C B:GLU115 4.6 25.6 1.0 N18 B:E2E201 4.6 25.1 0.7 N18 B:E2E201 4.7 25.7 0.3 HB3 B:GLU115 4.8 36.2 1.0 HB2 B:HIS116 4.8 31.6 1.0 C B:GLN113 4.8 22.2 1.0 OE1 B:GLU115 4.8 53.9 1.0 HB3 B:MET114 4.9 27.9 1.0 OE2 B:GLU115 4.9 50.0 1.0 N B:MET114 4.9 20.8 1.0 C10 B:E2E201 4.9 24.1 0.3 C10 B:E2E201 4.9 24.4 0.7 NE2 B:HIS116 4.9 47.9 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 within 5.0Å range: probe atom residue distance (Å) B Occ C:F201 b:27.6 occ:0.84 F03 C:E2E201 0.0 27.6 0.8 C02 C:E2E201 1.4 26.7 0.8 H161 C:E2E201 2.3 29.2 0.8 C01 C:E2E201 2.4 30.7 0.8 C04 C:E2E201 2.4 24.4 0.8 H C:GLU115 2.5 29.8 1.0 H011 C:E2E201 2.6 36.9 0.8 HB3 C:GLU115 2.8 37.0 1.0 C16 C:E2E201 2.8 24.3 0.8 H C:HIS116 3.0 31.5 1.0 C05 C:E2E201 3.2 24.4 0.8 N C:GLU115 3.2 24.8 1.0 HD2 C:HIS116 3.3 45.7 1.0 C06 C:E2E201 3.3 24.7 0.8 HA C:MET114 3.4 26.7 1.0 CD2 C:HIS116 3.4 38.0 1.0 HB2 C:GLU115 3.5 37.0 1.0 CB C:GLU115 3.6 30.8 1.0 HE2 C:HIS116 3.6 51.4 1.0 NE2 C:HIS116 3.6 42.8 1.0 C39 C:E2E201 3.6 29.5 0.8 C37 C:E2E201 3.7 25.0 0.8 O14 C:E2E201 3.8 21.6 0.8 C12 C:E2E201 3.8 24.2 0.8 CA C:GLU115 3.9 27.0 1.0 N C:HIS116 4.0 26.2 1.0 C C:MET114 4.0 24.7 1.0 N38 C:E2E201 4.1 26.4 0.8 O C:GLN113 4.1 23.6 1.0 CG C:HIS116 4.2 33.7 1.0 CA C:MET114 4.2 22.2 1.0 C13 C:E2E201 4.2 24.2 0.8 H391 C:E2E201 4.4 35.4 0.8 CE1 C:HIS116 4.4 39.3 1.0 C C:GLU115 4.4 28.8 1.0 C17 C:E2E201 4.5 22.9 0.8 C07 C:E2E201 4.5 23.1 0.8 N18 C:E2E201 4.7 22.8 0.8 OE1 C:GLU115 4.7 50.8 1.0 ND1 C:HIS116 4.7 35.7 1.0 HA C:GLU115 4.9 32.5 1.0 C10 C:E2E201 4.9 24.9 0.8 CG C:GLU115 4.9 41.7 1.0 HB2 C:HIS116 4.9 34.0 1.0 C C:GLN113 4.9 23.8 1.0 CB C:HIS116 5.0 28.3 1.0 O C:MET114 5.0 25.3 1.0

D.A.Kuntz, G.G.Prive. Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-11864 To Be Published.