Sodium in PDB 4j3i: X-Ray Crystal Structure of Bromodomain Complex to 1.24 A Resolution

The structure of X-Ray Crystal Structure of Bromodomain Complex to 1.24 A Resolution, PDB code: 4j3i was solved by A.J.Stein, A.White, R.K.Suto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.37 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.278, 44.623, 78.064, 90.00, 90.00, 90.00
R / Rfree (%)	11.3 / 14.5

The binding sites of Sodium atom in the X-Ray Crystal Structure of Bromodomain Complex to 1.24 A Resolution (pdb code 4j3i). 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 X-Ray Crystal Structure of Bromodomain Complex to 1.24 A Resolution, PDB code: 4j3i:

Sodium binding site 1 out of 1 in the X-Ray Crystal Structure of Bromodomain Complex to 1.24 A Resolution


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of X-Ray Crystal Structure of Bromodomain Complex to 1.24 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Na204 b:14.3 occ:1.00 O A:HOH303 2.7 6.9 1.0 N A:VAL87 2.9 6.1 1.0 O A:HOH307 3.0 7.9 1.0 CA A:PRO86 3.5 5.5 1.0 OH A:TYR98 3.5 9.0 0.5 OH A:TYR98 3.6 8.9 0.5 CG2 A:VAL87 3.6 6.2 1.0 C A:PRO86 3.7 6.1 1.0 O A:HOH308 3.8 8.3 1.0 CB A:VAL87 3.8 6.5 1.0 O A:MET105 3.9 5.4 1.0 CA A:VAL87 3.9 6.2 1.0 O A:HOH309 4.0 8.5 1.0 CB A:PRO104 4.1 11.3 1.0 CB A:PRO86 4.1 6.2 1.0 O A:HOH302 4.1 5.9 1.0 N A:MET105 4.1 5.9 1.0 C A:MET105 4.2 5.2 1.0 CB A:ASP106 4.3 5.2 1.0 OD1 A:ASP106 4.5 5.7 1.0 CZ A:TYR98 4.6 8.2 0.5 CZ A:TYR98 4.6 7.0 0.5 CA A:PRO104 4.6 7.5 1.0 OH A:TYR97 4.6 5.7 1.0 C A:PRO104 4.7 6.9 1.0 CE2 A:TYR97 4.7 5.5 1.0 N A:PRO86 4.7 4.8 1.0 O A:GLN85 4.7 5.1 1.0 CA A:MET105 4.7 4.9 1.0 CE1 A:TYR98 4.7 8.2 0.5 CE1 A:TYR98 4.7 8.3 0.5 CG A:ASP106 4.8 5.2 1.0 N A:ASP106 4.9 4.7 1.0 O A:VAL87 4.9 6.9 1.0 C A:VAL87 4.9 6.6 1.0 O A:PRO86 4.9 6.9 1.0

K.G.Mclure, E.M.Gesner, L.Tsujikawa, O.A.Kharenko, S.Attwell, E.Campeau, S.Wasiak, A.Stein, A.White, E.Fontano, R.K.Suto, N.C.Wong, G.S.Wagner, H.C.Hansen, P.R.Young. Rvx-208, An Inducer of Apoa-I in Humans, Is A Bet Bromodomain Antagonist. Plos One V. 8 83190 2013.
ISSN: ESSN 1932-6203
PubMed: 24391744
DOI: 10.1371/JOURNAL.PONE.0083190