Sodium in PDB 3uvx: Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC)

The structure of Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC), PDB code: 3uvx was solved by P.Filippakopoulos, S.Picaud, T.Keates, E.Ugochukwu, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.09 / 1.91
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.940, 52.380, 57.620, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 21.9

The binding sites of Sodium atom in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC) (pdb code 3uvx). 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 the First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC), PDB code: 3uvx:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC)


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 Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1 b:22.7 occ:1.00 OD1 A:ASN61 2.2 24.5 1.0 OE1 A:GLN64 2.3 23.9 1.0 O A:HOH30 2.4 18.9 1.0 CD A:GLN64 3.3 21.4 1.0 CG A:ASN61 3.3 25.0 1.0 CG A:GLN64 3.9 22.5 1.0 ND2 A:ASN61 4.0 23.4 1.0 NE2 A:GLN64 4.3 29.0 1.0 CB A:GLN64 4.3 16.2 1.0 O A:ASN61 4.4 18.7 1.0 CB A:ASN61 4.5 22.6 1.0 CA A:ASN61 4.6 20.8 1.0 C A:ASN61 5.0 18.0 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC)


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 First Bromodomain of Human BRD4 in Complex with A Diacetylated Histone 4 Peptide (H4K12ACK16AC) within 5.0Å range: probe atom residue distance (Å) B Occ A:Na2 b:31.3 occ:1.00 O A:HOH202 2.5 31.1 1.0 O A:HOH203 2.6 20.8 1.0 OE1 A:GLU49 2.9 20.7 1.0 CB A:GLU49 3.7 19.7 1.0 CD A:GLU49 3.7 20.8 1.0 CG A:GLU49 3.9 21.0 1.0 N A:GLU49 4.5 17.1 1.0 CA A:GLU49 4.7 18.6 1.0 O A:HOH35 4.7 27.7 1.0 OE2 A:GLU49 4.8 21.0 1.0

P.Filippakopoulos, S.Picaud, M.Mangos, T.Keates, J.P.Lambert, D.Barsyte-Lovejoy, I.Felletar, R.Volkmer, S.Muller, T.Pawson, A.C.Gingras, C.H.Arrowsmith, S.Knapp. Histone Recognition and Large-Scale Structural Analysis of the Human Bromodomain Family. Cell(Cambridge,Mass.) V. 149 214 2012.
ISSN: ISSN 0092-8674
PubMed: 22464331
DOI: 10.1016/J.CELL.2012.02.013