Fluorine in PDB 7xh6: Crystal Structure of Cbp Bromodomain Liganded with CCS1477

All present enzymatic activity of Crystal Structure of Cbp Bromodomain Liganded with CCS1477:
2.3.1.48;

The structure of Crystal Structure of Cbp Bromodomain Liganded with CCS1477, PDB code: 7xh6 was solved by H.Xu, Q.Xiang, C.Wang, C.Zhang, G.Luo, X.Wu, Y.Zhang, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.03 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.457, 33.713, 78.342, 90, 95.13, 90
R / Rfree (%)	19 / 22.7

The binding sites of Fluorine atom in the Crystal Structure of Cbp Bromodomain Liganded with CCS1477 (pdb code 7xh6). 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 Cbp Bromodomain Liganded with CCS1477, PDB code: 7xh6:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Crystal Structure of Cbp Bromodomain Liganded with CCS1477


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 Cbp Bromodomain Liganded with CCS1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1203 b:27.4 occ:1.00 FBL A:JHL1203 0.0 27.4 1.0 CBG A:JHL1203 1.3 25.9 1.0 CBF A:JHL1203 2.3 29.1 1.0 CBH A:JHL1203 2.4 27.4 1.0 FBK A:JHL1203 2.8 27.4 1.0 CD2 A:PHE1177 3.4 23.0 1.0 CG2 A:VAL1174 3.4 25.5 1.0 CG A:PRO1110 3.4 19.9 1.0 CE2 A:PHE1177 3.5 24.6 1.0 CBE A:JHL1203 3.6 30.2 1.0 CBI A:JHL1203 3.7 30.6 1.0 CG A:ARG1173 3.7 32.3 1.0 N A:VAL1174 3.9 21.8 1.0 CB A:ARG1173 3.9 26.3 1.0 NE A:ARG1173 4.0 40.4 1.0 CA A:VAL1174 4.0 21.3 1.0 C A:ARG1173 4.1 21.7 1.0 CBJ A:JHL1203 4.1 31.1 1.0 CZ A:ARG1173 4.2 43.0 1.0 O A:ARG1173 4.3 19.4 1.0 CG A:PHE1177 4.3 20.3 1.0 CB A:VAL1174 4.3 24.0 1.0 CD A:PRO1110 4.4 18.4 1.0 CD A:ARG1173 4.4 36.6 1.0 NH1 A:ARG1173 4.4 41.7 1.0 CZ A:PHE1177 4.5 25.2 1.0 O A:HOH1350 4.6 29.7 1.0 CB A:PRO1110 4.6 18.8 1.0 CA A:ARG1173 4.7 24.7 1.0 NH2 A:ARG1173 4.7 44.5 1.0 NAZ A:JHL1203 4.8 33.0 1.0 OBM A:JHL1203 4.9 32.5 1.0 CB A:PHE1177 4.9 17.4 1.0

Fluorine binding site 2 out of 4 in the Crystal Structure of Cbp Bromodomain Liganded with CCS1477


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 Cbp Bromodomain Liganded with CCS1477 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1203 b:27.4 occ:1.00 FBK A:JHL1203 0.0 27.4 1.0 CBH A:JHL1203 1.3 27.4 1.0 CBI A:JHL1203 2.3 30.6 1.0 CBG A:JHL1203 2.4 25.9 1.0 FBL A:JHL1203 2.8 27.4 1.0 CE2 A:PHE1177 3.3 24.6 1.0 O A:PRO1106 3.5 19.4 1.0 CBJ A:JHL1203 3.6 31.1 1.0 CG A:PRO1110 3.6 19.9 1.0 CD A:PRO1110 3.6 18.4 1.0 CBF A:JHL1203 3.6 29.1 1.0 CD2 A:PHE1177 3.7 23.0 1.0 CB A:LEU1109 4.0 19.9 1.0 CBE A:JHL1203 4.1 30.2 1.0 NH2 A:ARG1173 4.3 44.5 1.0 CB A:PRO1106 4.3 28.5 1.0 CZ A:ARG1173 4.4 43.0 1.0 N A:PRO1110 4.4 17.6 1.0 C A:PRO1106 4.5 21.7 1.0 NH1 A:ARG1173 4.5 41.7 1.0 CZ A:PHE1177 4.5 25.2 1.0 CD1 A:LEU1109 4.7 26.3 1.0 CG A:LEU1109 4.8 23.2 1.0 CA A:LEU1109 4.8 19.5 1.0 CB A:PRO1110 4.9 18.8 1.0 C A:LEU1109 5.0 18.1 1.0 CA A:PRO1106 5.0 25.3 1.0 CG A:PRO1106 5.0 27.7 1.0 NE A:ARG1173 5.0 40.4 1.0

Fluorine binding site 3 out of 4 in the Crystal Structure of Cbp Bromodomain Liganded with CCS1477


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 Cbp Bromodomain Liganded with CCS1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:31.4 occ:1.00 FBL B:JHL1201 0.0 31.4 1.0 CBG B:JHL1201 1.4 29.0 1.0 CBH B:JHL1201 2.4 28.7 1.0 CBF B:JHL1201 2.4 28.5 1.0 FBK B:JHL1201 2.7 31.5 1.0 CG B:PRO1110 3.3 27.7 1.0 CD2 B:PHE1177 3.3 32.0 1.0 CG2 B:VAL1174 3.4 34.3 1.0 CE2 B:PHE1177 3.6 34.2 1.0 CBI B:JHL1201 3.7 29.5 1.0 CBE B:JHL1201 3.7 31.8 1.0 N B:VAL1174 3.8 29.6 1.0 CB B:ARG1173 3.9 35.9 1.0 CA B:VAL1174 3.9 30.9 1.0 C B:ARG1173 4.0 29.1 1.0 CBJ B:JHL1201 4.1 28.9 1.0 CG B:PHE1177 4.3 30.1 1.0 O B:ARG1173 4.3 29.7 1.0 CD B:PRO1110 4.3 24.9 1.0 CB B:VAL1174 4.3 30.9 1.0 CZ B:ARG1173 4.4 44.4 1.0 NE B:ARG1173 4.4 42.9 1.0 CB B:PRO1110 4.4 24.9 1.0 NH2 B:ARG1173 4.5 43.3 1.0 O B:HOH1318 4.5 38.5 1.0 CZ B:PHE1177 4.6 34.5 1.0 CA B:ARG1173 4.6 32.2 1.0 CB B:PHE1177 4.8 32.6 1.0 NAZ B:JHL1201 4.8 32.9 1.0 NH1 B:ARG1173 4.9 48.0 1.0 CD B:ARG1173 5.0 43.8 1.0

Fluorine binding site 4 out of 4 in the Crystal Structure of Cbp Bromodomain Liganded with CCS1477


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 Cbp Bromodomain Liganded with CCS1477 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:31.5 occ:1.00 FBK B:JHL1201 0.0 31.5 1.0 CBH B:JHL1201 1.3 28.7 1.0 CBG B:JHL1201 2.3 29.0 1.0 CBI B:JHL1201 2.4 29.5 1.0 FBL B:JHL1201 2.7 31.4 1.0 CE2 B:PHE1177 3.4 34.2 1.0 CG B:PRO1110 3.4 27.7 1.0 CD B:PRO1110 3.6 24.9 1.0 CBF B:JHL1201 3.6 28.5 1.0 CBJ B:JHL1201 3.6 28.9 1.0 O B:PRO1106 3.6 30.9 1.0 CD2 B:PHE1177 3.7 32.0 1.0 CB B:LEU1109 4.0 29.2 1.0 CBE B:JHL1201 4.1 31.8 1.0 NH2 B:ARG1173 4.3 43.3 1.0 N B:PRO1110 4.4 22.6 1.0 CD1 B:LEU1109 4.5 32.2 1.0 NH1 B:ARG1173 4.5 48.0 1.0 CB B:PRO1106 4.5 34.0 1.0 CZ B:ARG1173 4.5 44.4 1.0 C B:PRO1106 4.6 34.5 1.0 O B:HOH1312 4.6 41.8 1.0 CZ B:PHE1177 4.6 34.5 1.0 CG B:LEU1109 4.8 29.0 1.0 CB B:PRO1110 4.8 24.9 1.0 CAS B:JHL1201 4.8 28.1 1.0 O A:HOH1304 4.9 41.0 1.0 CA B:LEU1109 4.9 25.4 1.0 C B:LEU1109 4.9 24.8 1.0 CAT B:JHL1201 5.0 27.6 1.0

H.Xu, G.Luo, T.Wu, J.Hu, C.Wang, X.Wu, Y.Zhang, Y.Xu, Q.Xiang. Structural Insights Revealed By the Cocrystal Structure of CCS1477 in Complex with Cbp Bromodomain Biochem.Biophys.Res.Commun. V. 623 17 2022.
ISSN: ESSN 1090-2104
DOI: 10.1016/J.BBRC.2022.07.021