Chlorine in PDB 7kpy: Crystal Structure of Cbp Bromodomain Liganded with UMB298 (Compound 23)

All present enzymatic activity of Crystal Structure of Cbp Bromodomain Liganded with UMB298 (Compound 23):
2.3.1.48;

The structure of Crystal Structure of Cbp Bromodomain Liganded with UMB298 (Compound 23), PDB code: 7kpy 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)	19.17 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	89.88, 34.68, 90.74, 90, 116.25, 90
R / Rfree (%)	20.2 / 23.9

The binding sites of Chlorine atom in the Crystal Structure of Cbp Bromodomain Liganded with UMB298 (Compound 23) (pdb code 7kpy). 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 UMB298 (Compound 23), PDB code: 7kpy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cbp Bromodomain Liganded with UMB298 (Compound 23)


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 UMB298 (Compound 23) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1202 b:27.3 occ:1.00 CL14 A:WU11202 0.0 27.3 1.0 C13 A:WU11202 1.8 22.4 1.0 C15 A:WU11202 2.7 23.2 1.0 C12 A:WU11202 2.7 22.3 1.0 O16 A:WU11202 2.9 26.9 1.0 CG A:PRO1110 3.4 19.1 1.0 CB A:ARG1173 3.5 20.8 1.0 CG2 A:VAL1174 3.7 25.1 1.0 CE2 A:PHE1177 3.7 22.6 1.0 CD2 A:PHE1177 3.8 18.0 1.0 N A:VAL1174 4.0 16.4 1.0 C18 A:WU11202 4.0 27.7 1.0 C11 A:WU11202 4.0 32.2 1.0 CB A:PRO1110 4.2 21.5 1.0 NE A:ARG1173 4.2 19.6 1.0 CD A:ARG1173 4.2 14.2 1.0 C17 A:WU11202 4.3 25.9 1.0 C A:ARG1173 4.3 16.0 1.0 CA A:VAL1174 4.4 17.3 1.0 CD A:PRO1110 4.4 23.0 1.0 CG A:ARG1173 4.5 22.1 1.0 CA A:ARG1173 4.5 17.8 1.0 C19 A:WU11202 4.5 29.0 1.0 CZ A:ARG1173 4.5 21.2 1.0 CB A:VAL1174 4.7 24.1 1.0 CZ A:PHE1177 4.8 22.6 1.0 NH1 A:ARG1173 4.8 20.1 1.0 O A:ARG1173 4.9 17.6 1.0 CG A:PHE1177 5.0 18.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cbp Bromodomain Liganded with UMB298 (Compound 23)


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 UMB298 (Compound 23) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1203 b:31.5 occ:1.00 CL14 B:WU11203 0.0 31.5 1.0 C13 B:WU11203 1.8 25.7 1.0 C15 B:WU11203 2.7 29.5 1.0 C12 B:WU11203 2.8 29.4 1.0 O16 B:WU11203 3.0 26.9 1.0 CG B:PRO1110 3.1 22.0 1.0 CE2 B:PHE1177 3.6 23.0 1.0 CG2 B:VAL1174 3.6 19.6 1.0 CB B:ARG1173 3.6 17.9 1.0 CD2 B:PHE1177 3.8 22.2 1.0 CB B:PRO1110 4.0 25.5 1.0 N B:VAL1174 4.0 17.8 1.0 C11 B:WU11203 4.0 32.2 1.0 C18 B:WU11203 4.0 27.9 1.0 NE B:ARG1173 4.3 19.0 1.0 CD B:PRO1110 4.3 22.1 1.0 C B:ARG1173 4.3 18.6 1.0 CA B:VAL1174 4.4 19.4 1.0 C17 B:WU11203 4.4 26.5 1.0 CD B:ARG1173 4.4 15.9 1.0 CZ B:ARG1173 4.5 20.2 1.0 C19 B:WU11203 4.6 33.2 1.0 CA B:ARG1173 4.6 20.4 1.0 CB B:VAL1174 4.6 17.5 1.0 CZ B:PHE1177 4.6 26.3 1.0 CG B:ARG1173 4.7 17.0 1.0 NH1 B:ARG1173 4.8 23.5 1.0 O B:ARG1173 4.8 18.1 1.0 CG B:PHE1177 5.0 20.2 1.0 O B:HOH1354 5.0 31.9 1.0

A.Muthengi, V.K.Wimalasena, H.O.Yosief, M.J.Bikowitz, L.H.Sigua, T.Wang, D.Li, Z.Gaieb, G.Dhawan, S.Liu, J.Erickson, R.E.Amaro, E.Schonbrunn, J.Qi, W.Zhang. Development of Dimethylisoxazole-Attached Imidazo[1,2- A ]Pyridines As Potent and Selective Cbp/P300 Inhibitors. J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
PubMed: 33872011
DOI: 10.1021/ACS.JMEDCHEM.0C02232