Chlorine in PDB 7xi0: Crystal Structure of Cbp Bromodomain Liganded with CCS150

All present enzymatic activity of Crystal Structure of Cbp Bromodomain Liganded with CCS150:
2.3.1.48;

The structure of Crystal Structure of Cbp Bromodomain Liganded with CCS150, PDB code: 7xi0 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)	30.00 / 1.62
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.54, 33.84, 78.699, 90, 94.65, 90
R / Rfree (%)	19.2 / 22.4

The binding sites of Chlorine atom in the Crystal Structure of Cbp Bromodomain Liganded with CCS150 (pdb code 7xi0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Cbp Bromodomain Liganded with CCS150, PDB code: 7xi0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cbp Bromodomain Liganded with CCS150


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Cbp Bromodomain Liganded with CCS150 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1201 b:14.3 occ:1.00 CL A:EL01201 0.0 14.3 1.0 CBK A:EL01201 1.7 12.9 1.0 CBJ A:EL01201 2.7 12.5 1.0 CBL A:EL01201 2.7 13.6 1.0 OBN A:EL01201 2.8 11.3 1.0 CG2 A:VAL1174 3.4 11.3 0.5 N A:VAL1174 3.4 9.7 0.5 N A:VAL1174 3.4 8.8 0.5 CD2 A:PHE1177 3.5 10.2 1.0 CA A:VAL1174 3.6 8.1 0.5 CB A:ARG1173 3.6 12.7 1.0 CA A:VAL1174 3.6 9.4 0.5 C A:ARG1173 3.6 9.5 1.0 CG A:ARG1173 3.7 16.0 1.0 CG A:PRO1110 3.7 8.0 1.0 CB A:VAL1174 3.8 7.7 0.5 CE2 A:PHE1177 3.8 10.3 1.0 O A:ARG1173 4.0 8.5 1.0 CBI A:EL01201 4.0 13.6 1.0 NE A:ARG1173 4.0 26.6 1.0 CBG A:EL01201 4.1 14.9 1.0 O A:HOH1374 4.1 14.3 1.0 CB A:VAL1174 4.1 10.1 0.5 CBO A:EL01201 4.2 11.7 1.0 CA A:ARG1173 4.3 10.5 1.0 CG2 A:VAL1174 4.3 7.4 0.5 CG A:PHE1177 4.4 9.3 1.0 CD A:ARG1173 4.5 23.7 1.0 CBH A:EL01201 4.6 14.7 1.0 CZ A:ARG1173 4.6 27.4 1.0 NH1 A:ARG1173 4.7 24.2 1.0 CD A:PRO1110 4.8 7.8 1.0 CZ A:PHE1177 4.8 11.2 1.0 CB A:PRO1110 4.8 8.0 1.0 O A:HOH1316 4.8 24.9 1.0 CB A:PHE1177 4.8 8.1 1.0 CG1 A:VAL1174 5.0 10.1 0.5 C A:VAL1174 5.0 8.7 0.5 C A:VAL1174 5.0 8.0 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of Cbp Bromodomain Liganded with CCS150


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Cbp Bromodomain Liganded with CCS150 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1201 b:18.0 occ:1.00 CL B:EL01201 0.0 18.0 1.0 CBK B:EL01201 1.7 15.6 1.0 CBJ B:EL01201 2.6 15.6 1.0 CBL B:EL01201 2.7 15.8 1.0 OBN B:EL01201 2.8 16.6 1.0 N B:VAL1174 3.4 14.8 1.0 CD2 B:PHE1177 3.4 19.3 1.0 CG2 B:VAL1174 3.5 15.1 0.5 CA B:VAL1174 3.5 15.1 0.5 CG B:ARG1173 3.6 20.2 1.0 CA B:VAL1174 3.6 15.3 0.5 C B:ARG1173 3.6 15.9 1.0 CE2 B:PHE1177 3.7 20.0 1.0 CG B:PRO1110 3.7 14.9 1.0 CB B:ARG1173 3.7 19.2 1.0 CB B:VAL1174 3.8 14.6 0.5 CD B:ARG1173 3.9 22.5 1.0 CBI B:EL01201 3.9 16.4 1.0 O B:ARG1173 4.0 15.0 1.0 CBG B:EL01201 4.0 18.5 1.0 CB B:VAL1174 4.2 15.2 0.5 O B:HOH1336 4.2 18.7 1.0 CBO B:EL01201 4.2 17.6 1.0 CG B:PHE1177 4.3 18.2 1.0 CA B:ARG1173 4.3 17.2 1.0 CG2 B:VAL1174 4.4 14.4 0.5 CBH B:EL01201 4.4 17.7 1.0 NE B:ARG1173 4.6 27.2 1.0 CZ B:PHE1177 4.7 20.9 1.0 CD B:PRO1110 4.7 14.4 1.0 O B:HOH1307 4.7 27.9 1.0 CB B:PRO1110 4.8 14.7 1.0 NH2 B:ARG1173 4.8 27.0 1.0 CB B:PHE1177 4.8 18.1 1.0 C B:VAL1174 5.0 15.9 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