Sodium in PDB 8gq0: Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with STL233497

The structure of Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with STL233497, PDB code: 8gq0 was solved by T.H.Park, B.I.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.80 / 1.44
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.281, 47.576, 79.344, 90, 90, 90
R / Rfree (%)	17.7 / 18.9

The binding sites of Sodium atom in the Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with STL233497 (pdb code 8gq0). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with STL233497, PDB code: 8gq0:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with STL233497


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 BRD4 Bromodomain 1 (BD1) in Complex with STL233497 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na205 b:13.1 occ:1.00 O A:LYS160 2.3 13.6 1.0 O A:GLU163 2.3 15.4 1.0 O A:HOH330 2.3 12.9 1.0 O2 A:GOL208 2.4 29.4 1.0 OH A:TYR65 2.4 16.5 1.0 C3 A:GOL208 2.7 21.4 1.0 C2 A:GOL208 3.0 21.6 1.0 C A:LYS160 3.3 11.0 1.0 CZ A:TYR65 3.4 14.6 1.0 C A:GLU163 3.4 16.5 1.0 O3 A:GOL208 3.7 29.9 1.0 CE2 A:TYR65 3.8 12.3 1.0 N A:GLU163 3.9 12.2 1.0 CA A:LYS160 4.0 10.7 1.0 CA A:GLU163 4.1 14.9 1.0 O1 A:GOL208 4.1 18.1 1.0 C1 A:GOL208 4.2 16.8 1.0 CB A:GLU163 4.2 18.2 1.0 N A:ILE161 4.3 11.2 1.0 O A:GLN159 4.4 13.2 1.0 CE1 A:TYR65 4.5 14.7 1.0 N A:LEU164 4.5 15.0 1.0 CA A:ILE161 4.6 12.3 1.0 N A:ASN162 4.7 12.7 1.0 C A:ILE161 4.7 13.7 1.0 CB A:LYS160 4.8 12.7 1.0 CA A:LEU164 4.8 14.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with STL233497


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 BRD4 Bromodomain 1 (BD1) in Complex with STL233497 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na206 b:12.8 occ:1.00 O A:ILE138 2.3 12.9 1.0 O A:ASN140 2.4 14.1 1.0 C A:ILE138 3.4 11.1 1.0 C A:ASN140 3.6 13.1 1.0 C A:TYR139 3.9 11.9 1.0 N A:ASN140 3.9 11.2 1.0 O A:TYR137 3.9 13.1 1.0 O A:TYR139 4.1 13.2 1.0 CA A:ILE138 4.2 12.6 1.0 N A:TYR139 4.3 11.4 1.0 CA A:ASN140 4.3 12.6 1.0 CA A:TYR139 4.4 11.6 1.0 N A:LYS141 4.6 15.0 1.0 O A:HOH319 4.6 19.7 1.0 CA A:LYS141 4.8 16.4 1.0 C A:TYR137 4.9 12.3 1.0 CB A:LYS141 4.9 19.7 1.0

T.H.Park, B.I.Lee. Crystal Structure of BRD4 Bromodomain 1 (BD1) in Complex with C239_0012 To Be Published.