Fluorine in PDB 8fup: Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477

All present enzymatic activity of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477:
2.3.1.48;

The structure of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477, PDB code: 8fup was solved by E.Schonbrunn, M.Bikowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.11 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.95, 53.46, 110.31, 90, 90, 90
R / Rfree (%)	18.6 / 21.3

The structure of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477 (pdb code 8fup). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477, PDB code: 8fup:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:20.5 occ:1.00 FBL A:JHL1202 0.0 20.5 1.0 CBG A:JHL1202 1.3 18.9 1.0 CBF A:JHL1202 2.3 18.6 1.0 CBH A:JHL1202 2.4 18.2 1.0 FBK A:JHL1202 2.7 21.1 1.0 CG2 A:VAL1174 3.4 16.1 1.0 CG A:PRO1110 3.5 13.5 1.0 CBE A:JHL1202 3.6 16.7 1.0 CBI A:JHL1202 3.6 16.2 1.0 CD2 A:PHE1177 3.6 12.1 1.0 CG A:ARG1173 3.7 18.6 1.0 N A:VAL1174 3.7 11.4 1.0 CB A:ARG1173 3.7 20.4 1.0 CE2 A:PHE1177 3.8 12.2 1.0 CA A:VAL1174 3.9 11.1 1.0 C A:ARG1173 3.9 12.8 1.0 NH1 A:ARG1173 4.0 18.1 1.0 CBJ A:JHL1202 4.1 17.4 1.0 CD A:ARG1173 4.2 20.3 1.0 CB A:VAL1174 4.3 13.5 1.0 O A:ARG1173 4.3 12.6 1.0 CZ A:ARG1173 4.4 17.1 1.0 NE A:ARG1173 4.5 19.3 1.0 CA A:ARG1173 4.5 14.3 1.0 CD A:PRO1110 4.5 12.1 1.0 CG A:PHE1177 4.6 11.5 1.0 NAZ A:JHL1202 4.8 17.7 1.0 CB A:PRO1110 4.8 12.6 1.0 OBM A:JHL1202 4.8 19.9 1.0 CZ A:PHE1177 4.9 15.8 1.0

Fluorine binding site 2 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1202 b:21.1 occ:1.00 FBK A:JHL1202 0.0 21.1 1.0 CBH A:JHL1202 1.4 18.2 1.0 CBG A:JHL1202 2.4 18.9 1.0 CBI A:JHL1202 2.4 16.2 1.0 FBL A:JHL1202 2.7 20.5 1.0 CE2 A:PHE1177 3.0 12.2 1.0 CD2 A:PHE1177 3.3 12.1 1.0 O A:PRO1106 3.4 12.2 1.0 CG A:PRO1110 3.6 13.5 1.0 CD A:PRO1110 3.6 12.1 1.0 CBF A:JHL1202 3.6 18.6 1.0 CBJ A:JHL1202 3.7 17.4 1.0 NH1 A:ARG1173 3.7 18.1 1.0 CZ A:ARG1173 4.0 17.1 1.0 CB A:PRO1106 4.0 14.1 1.0 CBE A:JHL1202 4.1 16.7 1.0 NH2 A:ARG1173 4.2 19.5 1.0 C A:PRO1106 4.2 11.3 1.0 CZ A:PHE1177 4.3 15.8 1.0 CB A:LEU1109 4.3 12.2 1.0 O1 A:EDO1203 4.4 19.5 1.0 NE A:ARG1173 4.6 19.3 1.0 CG A:PHE1177 4.6 11.5 1.0 N A:PRO1110 4.7 12.0 1.0 CA A:PRO1106 4.7 11.7 1.0 CG A:PRO1106 4.8 16.6 1.0 CD1 A:LEU1109 4.8 18.5 1.0 CG A:LEU1109 5.0 15.4 1.0

Fluorine binding site 3 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:19.3 occ:1.00 FBL B:JHL1201 0.0 19.3 1.0 CBG B:JHL1201 1.4 18.8 1.0 CBF B:JHL1201 2.4 20.9 1.0 CBH B:JHL1201 2.4 20.1 1.0 FBK B:JHL1201 2.7 21.0 1.0 CG B:PRO1110 3.4 16.4 1.0 CD2 B:PHE1177 3.4 13.7 1.0 CG B:ARG1173 3.5 16.5 1.0 CG2 B:VAL1174 3.5 16.9 1.0 CBE B:JHL1201 3.6 20.2 1.0 CE2 B:PHE1177 3.6 14.1 1.0 NE B:ARG1173 3.6 18.1 1.0 CBI B:JHL1201 3.7 18.9 1.0 CZ B:ARG1173 3.8 19.5 1.0 CB B:ARG1173 4.0 15.1 1.0 N B:VAL1174 4.0 14.2 1.0 CD B:ARG1173 4.1 16.2 1.0 CA B:VAL1174 4.1 14.0 1.0 C B:ARG1173 4.1 15.3 1.0 CBJ B:JHL1201 4.1 22.1 1.0 NH2 B:ARG1173 4.2 16.4 1.0 CD B:PRO1110 4.3 15.8 1.0 CG B:PHE1177 4.3 13.5 1.0 NH1 B:ARG1173 4.3 16.9 1.0 O B:ARG1173 4.3 15.1 1.0 CB B:VAL1174 4.4 15.9 1.0 CB B:PRO1110 4.6 14.7 1.0 CZ B:PHE1177 4.6 15.9 1.0 CA B:ARG1173 4.7 14.1 1.0 NAZ B:JHL1201 4.8 22.6 1.0 CB B:PHE1177 4.9 13.2 1.0 OBM B:JHL1201 4.9 23.7 1.0 O B:HOH1379 4.9 17.2 1.0 O B:HOH1372 4.9 22.3 1.0

Fluorine binding site 4 out of 4 in the Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Bromodomain of Cbp Liganded with Bms-536924 and Ccs-1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:21.0 occ:1.00 FBK B:JHL1201 0.0 21.0 1.0 CBH B:JHL1201 1.4 20.1 1.0 CBG B:JHL1201 2.3 18.8 1.0 CBI B:JHL1201 2.4 18.9 1.0 FBL B:JHL1201 2.7 19.3 1.0 CE2 B:PHE1177 3.2 14.1 1.0 O B:PRO1106 3.3 14.7 1.0 CD2 B:PHE1177 3.3 13.7 1.0 CD B:PRO1110 3.4 15.8 1.0 CG B:PRO1110 3.5 16.4 1.0 CBF B:JHL1201 3.6 20.9 1.0 CBJ B:JHL1201 3.6 22.1 1.0 NH1 B:ARG1173 3.9 16.9 1.0 CB B:LEU1109 3.9 18.2 1.0 CBE B:JHL1201 4.1 20.2 1.0 CZ B:ARG1173 4.1 19.5 1.0 CB B:PRO1106 4.2 18.1 1.0 C B:PRO1106 4.3 20.0 1.0 N B:PRO1110 4.3 15.1 1.0 NH2 B:ARG1173 4.4 16.4 1.0 CZ B:PHE1177 4.4 15.9 1.0 CD1 B:LEU1109 4.5 17.3 1.0 NE B:ARG1173 4.7 18.1 1.0 CG B:PHE1177 4.7 13.5 1.0 CG B:LEU1109 4.7 19.8 1.0 CA B:LEU1109 4.7 15.4 1.0 N B:LEU1109 4.8 14.3 1.0 C B:LEU1109 4.9 16.8 1.0 CA B:PRO1106 4.9 20.1 1.0 CB B:PRO1110 4.9 14.7 1.0 CG B:PRO1106 4.9 20.3 1.0

E.Schonbrunn, M.Bikowitz. Structural Basis of Cbp and EP300 Interaction with Kinase Inhibitors To Be Published.