Sodium in PDB 6lqx: Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7

The structure of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7, PDB code: 6lqx was solved by Y.Chen, F.Zhang, Z.Sun, X.Bi, C.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.22 / 2.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.89, 68.789, 76.669, 90, 91.75, 90
R / Rfree (%)	17.1 / 26

The binding sites of Sodium atom in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 (pdb code 6lqx). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 6 binding sites of Sodium where determined in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7, PDB code: 6lqx:
Jump to Sodium binding site number: 1; 2; 3; 4; 5; 6;

Sodium binding site 1 out of 6 in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1202 b:33.4 occ:1.00 OH B:TYR1175 4.5 29.5 1.0 CE2 B:TRP1165 4.9 21.8 1.0

Sodium binding site 2 out of 6 in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1203 b:38.7 occ:1.00 CB B:ALA1182 3.3 24.8 1.0 OE2 B:GLU1186 3.7 31.3 1.0 CZ2 B:TRP1165 4.2 22.5 1.0 O B:SER1179 4.2 24.8 1.0 CH2 B:TRP1165 4.4 22.2 1.0 N B:GLU1183 4.5 20.7 1.0 CD B:GLU1186 4.5 24.4 1.0 CA B:ALA1182 4.6 22.9 1.0 C B:ALA1182 4.6 22.1 1.0 OE1 B:GLU1186 4.6 27.3 1.0 CA B:SER1179 4.8 19.1 1.0 CG B:GLU1183 4.8 30.8 1.0 CB B:SER1179 4.8 18.4 1.0 C B:SER1179 4.9 26.7 1.0 OG B:SER1179 5.0 20.6 1.0

Sodium binding site 3 out of 6 in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na1201 b:28.2 occ:1.00 CZ2 D:TRP1165 3.7 24.7 1.0 CH2 D:TRP1165 3.8 20.7 1.0 OE2 D:GLU1186 3.9 33.4 1.0 OH A:TYR1175 3.9 20.7 1.0 CB D:ALA1182 4.0 23.6 1.0 NA D:NA1202 4.2 34.6 1.0 CE2 A:TRP1165 4.3 20.5 1.0 CZ2 A:TRP1165 4.5 19.8 1.0 NE1 A:TRP1165 4.6 19.9 1.0 CD2 A:TRP1165 4.6 21.1 1.0 O D:SER1179 4.7 26.1 1.0 CD D:GLU1186 4.8 35.8 1.0 CE2 D:TRP1165 4.9 29.1 1.0 OG D:SER1179 4.9 25.1 1.0 CZ3 D:TRP1165 4.9 25.6 1.0 CD1 A:TRP1165 4.9 20.4 1.0 CH2 A:TRP1165 4.9 16.8 1.0 CZ A:TYR1175 4.9 18.1 1.0 CB D:SER1179 4.9 22.3 1.0 CG A:TRP1165 4.9 22.1 1.0 CA D:SER1179 4.9 24.7 1.0 CE3 A:TRP1165 5.0 23.4 1.0

Sodium binding site 4 out of 6 in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na1202 b:34.6 occ:1.00 CZ2 A:TRP1165 3.8 19.8 1.0 CH2 A:TRP1165 3.9 16.8 1.0 NA D:NA1201 4.2 28.2 1.0 OH D:TYR1175 4.2 29.2 1.0 CB A:ALA1182 4.3 17.8 1.0 CE2 D:TRP1165 4.3 29.1 1.0 CZ2 D:TRP1165 4.4 24.7 1.0 NE1 D:TRP1165 4.6 25.1 1.0 OG D:SER1179 4.6 25.1 1.0 CD2 D:TRP1165 4.7 28.0 1.0 CH2 D:TRP1165 4.8 20.7 1.0 CE2 A:TRP1165 4.8 20.5 1.0

Sodium binding site 5 out of 6 in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 5 of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na1201 b:35.3 occ:1.00 CE2 C:TRP1165 3.6 24.3 1.0 CZ2 C:TRP1165 3.8 22.1 1.0 CD2 C:TRP1165 3.8 22.8 1.0 NE1 C:TRP1165 3.9 22.6 1.0 OH C:TYR1175 4.0 27.9 1.0 CH2 C:TRP1165 4.2 16.3 1.0 CE3 C:TRP1165 4.2 19.7 1.0 CG C:TRP1165 4.3 19.4 1.0 CD1 C:TRP1165 4.3 21.2 1.0 CZ3 C:TRP1165 4.4 16.3 1.0 CZ C:TYR1175 4.7 30.3 1.0 OG C:SER1179 4.8 23.1 1.0

Sodium binding site 6 out of 6 in the Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 6 of Crystal Structure of the Cbp Bromodomain in Complex with Small Molecule Lc-CPIN7 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na1202 b:32.9 occ:1.00 OE2 C:GLU1186 2.8 32.5 1.0 CD C:GLU1186 3.8 38.2 1.0 CB C:ALA1182 3.9 21.9 1.0 CH2 C:TRP1165 4.0 16.3 1.0 OE1 C:GLU1186 4.2 37.3 1.0 CZ2 C:TRP1165 4.3 22.1 1.0 C C:ALA1182 4.8 23.9 1.0 O C:ALA1182 4.8 25.1 1.0 CH2 C:TRP1158 4.9 22.9 1.0 CZ3 C:TRP1158 5.0 22.2 1.0

Y.Chen, X.Bi, F.Zhang, Z.Sun, C.Luo. Design, Synthesis and Biological Evaluation of Novel Small Molecule Inhibitor of the Cbp Bromodomain with Possible Anti-Leukemia Effects To Be Published.