Sodium in PDB 6in1: Crystal Structure of the First Bromodomain of BRD4 in Complex with 18- Crown-6

The structure of Crystal Structure of the First Bromodomain of BRD4 in Complex with 18- Crown-6, PDB code: 6in1 was solved by T.Yokoyama, Y.Kosaka, K.Matsumoto, R.Kitakami, Y.Nabeshima, M.Mizuguchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.28 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.633, 44.896, 78.251, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 18.8

The binding sites of Sodium atom in the Crystal Structure of the First Bromodomain of BRD4 in Complex with 18- Crown-6 (pdb code 6in1). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of the First Bromodomain of BRD4 in Complex with 18- Crown-6, PDB code: 6in1:

Sodium binding site 1 out of 1 in the Crystal Structure of the First Bromodomain of BRD4 in Complex with 18- Crown-6


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 First Bromodomain of BRD4 in Complex with 18- Crown-6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na202 b:21.4 occ:1.00 O A:ASN140 2.2 25.0 1.0 O A:ILE138 2.4 20.2 1.0 O A:TYR137 2.5 22.3 1.0 O A:HOH414 2.5 33.9 1.0 C A:ILE138 3.0 19.0 1.0 C A:ASN140 3.4 23.1 1.0 O A:HOH344 3.4 22.8 1.0 CA A:ILE138 3.5 18.5 1.0 C A:TYR137 3.5 18.3 1.0 N A:ASN140 3.8 20.0 1.0 N A:ILE138 4.0 18.3 1.0 N A:TYR139 4.0 18.8 1.0 C A:TYR139 4.1 17.9 1.0 CA A:ASN140 4.3 19.9 1.0 N A:LYS141 4.4 25.3 1.0 O A:HOH349 4.4 30.4 1.0 O A:TYR139 4.5 21.2 1.0 CA A:TYR139 4.5 16.1 1.0 CA A:LYS141 4.5 25.5 1.0 CA A:TYR137 4.9 16.5 1.0 CB A:ILE138 4.9 17.9 1.0

T.Yokoyama, Y.Kosaka, K.Matsumoto, R.Kitakami, Y.Nabeshima, M.Mizuguchi. Crown Ethers As Transthyretin Amyloidogenesis Inhibitor To Be Published.