Fluorine in PDB 7t0u: Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387, PDB code: 7t0u 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)	36.27 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.484, 72.545, 67.488, 90, 109.15, 90
R / Rfree (%)	14.1 / 18

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 also contains other interesting chemical elements:

Chlorine

(Cl)

11 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 (pdb code 7t0u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387, PDB code: 7t0u:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


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-12387 within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:24.7 occ:0.96 F46 A:E3I204 0.0 24.7 1.0 C45 A:E3I204 1.4 19.8 1.0 F47 A:E3I204 2.1 24.6 1.0 F48 A:E3I204 2.1 34.5 1.0 C44 A:E3I204 2.4 11.5 1.0 N43 A:E3I204 2.6 10.0 1.0 HA3 A:GLY55 2.9 12.5 1.0 O A:HOH373 3.0 43.1 1.0 HA2 A:GLY55 3.1 12.5 1.0 O A:HOH312 3.2 31.9 1.0 O A:HOH385 3.2 49.2 1.0 CA A:GLY55 3.5 10.4 1.0 N01 A:E3I204 3.6 11.6 1.0 O A:HOH326 3.8 49.0 1.0 H023 A:E3I204 3.8 16.0 1.0 OE1 A:GLN113 3.9 19.8 1.0 C42 A:E3I204 3.9 8.8 1.0 C02 A:E3I204 4.2 13.3 1.0 HB3 A:GLN113 4.3 14.6 1.0 H202 A:E3I204 4.4 12.1 1.0 N A:GLY55 4.5 9.7 1.0 C A:GLY55 4.5 10.8 1.0 H A:GLY55 4.6 11.7 1.0 O A:GLY55 4.6 11.7 1.0 H021 A:E3I204 4.6 16.0 1.0 HB2 A:GLN113 4.7 14.6 1.0 HD2 A:TYR58 4.8 21.1 1.0 C03 A:E3I204 4.8 10.3 1.0 N19 A:E3I204 4.9 8.7 1.0 C05 A:E3I204 4.9 8.7 1.0 HB3 A:TYR58 4.9 14.8 1.0 CB A:GLN113 5.0 12.2 1.0 H022 A:E3I204 5.0 16.0 1.0

Fluorine binding site 2 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


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-12387 within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:24.6 occ:0.96 F47 A:E3I204 0.0 24.6 1.0 C45 A:E3I204 1.3 19.8 1.0 F46 A:E3I204 2.1 24.7 1.0 F48 A:E3I204 2.1 34.5 1.0 C44 A:E3I204 2.4 11.5 1.0 H023 A:E3I204 2.5 16.0 1.0 HB3 A:GLN113 2.6 14.6 1.0 HA3 A:GLY55 2.9 12.5 1.0 C02 A:E3I204 2.9 13.3 1.0 N01 A:E3I204 2.9 11.6 1.0 H021 A:E3I204 3.0 16.0 1.0 OE1 A:GLN113 3.1 19.8 1.0 N43 A:E3I204 3.3 10.0 1.0 CB A:GLN113 3.4 12.2 1.0 HB2 A:GLN113 3.5 14.6 1.0 H022 A:E3I204 3.8 16.0 1.0 CA A:GLY55 3.8 10.4 1.0 O A:GLN113 4.0 11.7 1.0 HA2 A:GLY55 4.0 12.5 1.0 CD A:GLN113 4.0 18.2 1.0 O A:HOH326 4.2 49.0 1.0 H A:GLY55 4.2 11.7 1.0 CG A:GLN113 4.2 15.1 1.0 HG2 A:GLN113 4.3 18.1 1.0 C03 A:E3I204 4.3 10.3 1.0 C42 A:E3I204 4.4 8.8 1.0 N A:GLY55 4.5 9.7 1.0 CA A:GLN113 4.5 10.5 1.0 O A:HOH352 4.5 35.8 1.0 C A:GLN113 4.5 10.4 1.0 O A:HOH312 4.6 31.9 1.0 HA A:GLN113 4.7 12.7 1.0 C A:GLY55 4.8 10.8 1.0 C05 A:E3I204 4.9 8.7 1.0

Fluorine binding site 3 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


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-12387 within 5.0Å range: probe atom residue distance (Å) B Occ A:F204 b:34.5 occ:0.96 F48 A:E3I204 0.0 34.5 1.0 C45 A:E3I204 1.4 19.8 1.0 F46 A:E3I204 2.1 24.7 1.0 F47 A:E3I204 2.1 24.6 1.0 H023 A:E3I204 2.3 16.0 1.0 C44 A:E3I204 2.4 11.5 1.0 C02 A:E3I204 3.0 13.3 1.0 N01 A:E3I204 3.0 11.6 1.0 N43 A:E3I204 3.3 10.0 1.0 H022 A:E3I204 3.5 16.0 1.0 H021 A:E3I204 3.6 16.0 1.0 O A:HOH385 4.3 49.2 1.0 C03 A:E3I204 4.4 10.3 1.0 O A:HOH373 4.4 43.1 1.0 HA3 A:GLY55 4.4 12.5 1.0 C42 A:E3I204 4.4 8.8 1.0 HB3 A:GLN113 4.6 14.6 1.0 C05 A:E3I204 5.0 8.7 1.0 HA2 A:GLY55 5.0 12.5 1.0

Fluorine binding site 4 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


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-12387 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:25.1 occ:0.92 F46 B:E3I201 0.0 25.1 0.9 C45 B:E3I201 1.4 16.2 0.9 F47 B:E3I201 2.1 21.4 0.9 F48 B:E3I201 2.1 23.2 0.9 C44 B:E3I201 2.4 9.9 0.9 N43 B:E3I201 2.6 9.1 0.9 HA3 B:GLY55 2.9 11.8 1.0 O B:HOH331 2.9 33.0 1.0 HA2 B:GLY55 3.2 11.8 1.0 CA B:GLY55 3.5 9.8 1.0 O B:HOH308 3.6 39.7 1.0 N01 B:E3I201 3.6 10.2 0.9 OE1 B:GLN113 3.9 19.1 1.0 C42 B:E3I201 4.0 8.3 0.9 H021 B:E3I201 4.0 14.2 0.9 C02 B:E3I201 4.2 11.8 0.9 H023 B:E3I201 4.2 14.2 0.9 HB3 B:GLN113 4.2 13.9 1.0 H201 B:E3I201 4.3 10.8 0.9 O B:HOH370 4.5 42.0 1.0 N B:GLY55 4.5 8.5 1.0 C B:GLY55 4.5 10.3 1.0 HD2 B:TYR58 4.5 15.4 1.0 H B:GLY55 4.5 10.2 1.0 O B:GLY55 4.6 11.2 1.0 HB2 B:GLN113 4.7 13.9 1.0 C03 B:E3I201 4.8 9.7 0.9 N19 B:E3I201 4.9 7.7 0.9 HB3 B:TYR58 4.9 12.1 1.0 CB B:GLN113 4.9 11.6 1.0 C05 B:E3I201 4.9 7.9 0.9 C20 B:E3I201 4.9 9.0 0.9

Fluorine binding site 5 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:21.4 occ:0.92 F47 B:E3I201 0.0 21.4 0.9 C45 B:E3I201 1.3 16.2 0.9 F46 B:E3I201 2.1 25.1 0.9 F48 B:E3I201 2.1 23.2 0.9 C44 B:E3I201 2.3 9.9 0.9 H023 B:E3I201 2.6 14.2 0.9 HB3 B:GLN113 2.6 13.9 1.0 O B:HOH370 2.8 42.0 1.0 H021 B:E3I201 2.8 14.2 0.9 C02 B:E3I201 2.9 11.8 0.9 N01 B:E3I201 3.0 10.2 0.9 HA3 B:GLY55 3.0 11.8 1.0 OE1 B:GLN113 3.2 19.1 1.0 N43 B:E3I201 3.3 9.1 0.9 CB B:GLN113 3.5 11.6 1.0 HB2 B:GLN113 3.6 13.9 1.0 H022 B:E3I201 3.8 14.2 0.9 CA B:GLY55 3.9 9.8 1.0 O B:HOH308 3.9 39.7 1.0 HA2 B:GLY55 4.0 11.8 1.0 O B:GLN113 4.0 11.2 1.0 CD B:GLN113 4.1 17.2 1.0 CG B:GLN113 4.2 14.5 1.0 H B:GLY55 4.2 10.2 1.0 HG2 B:GLN113 4.3 17.4 1.0 O B:HOH372 4.3 33.8 1.0 C03 B:E3I201 4.3 9.7 0.9 O B:HOH331 4.4 33.0 1.0 C42 B:E3I201 4.5 8.3 0.9 CA B:GLN113 4.5 9.8 1.0 N B:GLY55 4.5 8.5 1.0 C B:GLN113 4.6 10.0 1.0 HA B:GLN113 4.6 11.7 1.0 C B:GLY55 4.8 10.3 1.0 C05 B:E3I201 5.0 7.9 0.9

Fluorine binding site 6 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range: probe atom residue distance (Å) B Occ B:F201 b:23.2 occ:0.92 F48 B:E3I201 0.0 23.2 0.9 C45 B:E3I201 1.4 16.2 0.9 F46 B:E3I201 2.1 25.1 0.9 F47 B:E3I201 2.1 21.4 0.9 C44 B:E3I201 2.4 9.9 0.9 H021 B:E3I201 2.4 14.2 0.9 N01 B:E3I201 2.9 10.2 0.9 C02 B:E3I201 3.0 11.8 0.9 H023 B:E3I201 3.2 14.2 0.9 N43 B:E3I201 3.3 9.1 0.9 H022 B:E3I201 3.8 14.2 0.9 O B:HOH370 4.1 42.0 1.0 C03 B:E3I201 4.3 9.7 0.9 C42 B:E3I201 4.4 8.3 0.9 HA3 B:GLY55 4.5 11.8 1.0 HB3 B:GLN113 4.6 13.9 1.0 C05 B:E3I201 4.9 7.9 0.9 HA2 B:GLY55 5.0 11.8 1.0 O B:HOH331 5.0 33.0 1.0 O B:HOH308 5.0 39.7 1.0

Fluorine binding site 7 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range: probe atom residue distance (Å) B Occ C:F202 b:20.9 occ:0.89 F46 C:E3I202 0.0 20.9 0.9 C45 C:E3I202 1.3 15.4 0.9 F47 C:E3I202 2.1 22.6 0.9 F48 C:E3I202 2.1 22.9 0.9 C44 C:E3I202 2.4 9.3 0.9 N43 C:E3I202 2.6 8.7 0.9 HA3 C:GLY55 2.9 12.7 1.0 O C:HOH317 3.0 23.4 0.6 HA2 C:GLY55 3.2 12.7 1.0 CA C:GLY55 3.5 10.6 1.0 N01 C:E3I202 3.6 10.0 0.9 O C:HOH317 3.7 22.0 0.5 C42 C:E3I202 3.9 7.8 0.9 OE1 C:GLN113 4.0 18.4 1.0 H022 C:E3I202 4.0 14.7 0.9 C02 C:E3I202 4.2 12.2 0.9 HB3 C:GLN113 4.4 14.9 1.0 H021 C:E3I202 4.4 14.7 0.9 H202 C:E3I202 4.4 11.2 0.9 C C:GLY55 4.5 10.1 1.0 N C:GLY55 4.5 10.0 1.0 H C:GLY55 4.6 12.0 1.0 O C:GLY55 4.6 11.8 1.0 HD2 C:TYR58 4.7 22.0 1.0 HB2 C:GLN113 4.8 14.9 1.0 C03 C:E3I202 4.8 8.9 0.9 N19 C:E3I202 4.9 7.9 0.9 C05 C:E3I202 4.9 7.4 0.9 HB3 C:TYR58 4.9 15.3 1.0 C20 C:E3I202 5.0 9.3 0.9 HG C:SER59 5.0 25.0 0.6

Fluorine binding site 8 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range: probe atom residue distance (Å) B Occ C:F202 b:22.6 occ:0.89 F47 C:E3I202 0.0 22.6 0.9 C45 C:E3I202 1.3 15.4 0.9 F46 C:E3I202 2.1 20.9 0.9 F48 C:E3I202 2.1 22.9 0.9 C44 C:E3I202 2.3 9.3 0.9 HB3 C:GLN113 2.6 14.9 1.0 H021 C:E3I202 2.7 14.7 0.9 H022 C:E3I202 2.8 14.7 0.9 HA3 C:GLY55 2.9 12.7 1.0 C02 C:E3I202 2.9 12.2 0.9 N01 C:E3I202 2.9 10.0 0.9 OE1 C:GLN113 3.1 18.4 1.0 N43 C:E3I202 3.3 8.7 0.9 CB C:GLN113 3.5 12.4 1.0 HB2 C:GLN113 3.6 14.9 1.0 CA C:GLY55 3.8 10.6 1.0 H023 C:E3I202 3.8 14.7 0.9 O C:GLN113 4.0 11.7 1.0 HA2 C:GLY55 4.0 12.7 1.0 CD C:GLN113 4.1 16.7 1.0 O C:HOH317 4.2 22.0 0.5 H C:GLY55 4.2 12.0 1.0 CG C:GLN113 4.3 13.7 1.0 C03 C:E3I202 4.3 8.9 0.9 O C:HOH317 4.4 23.4 0.6 HG2 C:GLN113 4.4 16.4 1.0 C42 C:E3I202 4.4 7.8 0.9 N C:GLY55 4.5 10.0 1.0 O C:HOH376 4.5 38.9 1.0 CA C:GLN113 4.5 10.9 1.0 C C:GLN113 4.6 10.6 1.0 HA C:GLN113 4.7 13.1 1.0 C C:GLY55 4.8 10.1 1.0 C05 C:E3I202 4.9 7.4 0.9

Fluorine binding site 9 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range: probe atom residue distance (Å) B Occ C:F202 b:22.9 occ:0.89 F48 C:E3I202 0.0 22.9 0.9 C45 C:E3I202 1.4 15.4 0.9 F46 C:E3I202 2.1 20.9 0.9 F47 C:E3I202 2.1 22.6 0.9 C44 C:E3I202 2.4 9.3 0.9 H022 C:E3I202 2.4 14.7 0.9 N01 C:E3I202 3.0 10.0 0.9 C02 C:E3I202 3.0 12.2 0.9 N43 C:E3I202 3.3 8.7 0.9 H021 C:E3I202 3.4 14.7 0.9 H023 C:E3I202 3.8 14.7 0.9 C03 C:E3I202 4.3 8.9 0.9 HA3 C:GLY55 4.4 12.7 1.0 C42 C:E3I202 4.4 7.8 0.9 HB3 C:GLN113 4.7 14.9 1.0 C05 C:E3I202 5.0 7.4 0.9

Fluorine binding site 10 out of 12 in the Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 within 5.0Å range: probe atom residue distance (Å) B Occ D:F201 b:26.7 occ:0.96 F46 D:E3I201 0.0 26.7 1.0 C45 D:E3I201 1.3 20.5 1.0 F48 D:E3I201 2.1 28.3 1.0 F47 D:E3I201 2.1 23.5 1.0 C44 D:E3I201 2.4 12.7 1.0 H022 D:E3I201 2.5 18.1 1.0 HB3 D:GLN113 2.6 15.6 1.0 O D:HOH383 2.8 51.1 1.0 H021 D:E3I201 2.9 18.1 1.0 C02 D:E3I201 2.9 15.1 1.0 HA3 D:GLY55 2.9 12.5 1.0 N01 D:E3I201 3.0 13.3 1.0 OE1 D:GLN113 3.2 23.1 1.0 N43 D:E3I201 3.4 11.2 1.0 CB D:GLN113 3.5 13.0 1.0 H023 D:E3I201 3.8 18.1 1.0 HB2 D:GLN113 3.8 15.6 1.0 CA D:GLY55 3.8 10.4 1.0 HG2 D:GLN113 4.0 19.1 1.0 O D:HOH312 4.0 38.9 1.0 O D:GLN113 4.0 11.6 1.0 HA2 D:GLY55 4.0 12.5 1.0 CD D:GLN113 4.0 18.8 1.0 CG D:GLN113 4.1 15.9 1.0 H D:GLY55 4.3 11.7 1.0 C03 D:E3I201 4.3 12.8 1.0 C42 D:E3I201 4.5 10.6 1.0 CA D:GLN113 4.5 11.8 1.0 N D:GLY55 4.5 9.8 1.0 O D:HOH346 4.6 33.0 1.0 C D:GLN113 4.6 11.2 1.0 HA D:GLN113 4.6 14.2 1.0 O D:HOH390 4.7 44.0 1.0 C D:GLY55 4.8 11.8 1.0 C05 D:E3I201 5.0 10.4 1.0

D.A.Kuntz, G.G.Prive. Crystal Structure of the BCL6 Btb Domain in Complex with Oicr-12387 To Be Published.