Sodium in PDB 5ame: Crystal Structure of the Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One (Sgc - Diamond I04-1 Fragment Screening)

The structure of Crystal Structure of the Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One (Sgc - Diamond I04-1 Fragment Screening), PDB code: 5ame was solved by N.M.Pearce, M.Fairhead, C.Strain-Damerell, R.Talon, N.Wright, J.T.Ng, A.Bradley, O.Cox, D.Bowkett, P.Collins, J.Brandao-Neto, A.Douangamath, T.Krojer, N.Burgess-Brown, P.Brennan, C.H.Arrowsmith, E.Edwards, C.Bountra, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.059 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.554, 56.537, 101.630, 90.00, 90.00, 90.00
R / Rfree (%)	18.14 / 20.44

The binding sites of Sodium atom in the Crystal Structure of the Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One (Sgc - Diamond I04-1 Fragment Screening) (pdb code 5ame). 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 Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One (Sgc - Diamond I04-1 Fragment Screening), PDB code: 5ame:

Sodium binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One (Sgc - Diamond I04-1 Fragment Screening)


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 Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One (Sgc - Diamond I04-1 Fragment Screening) within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1146 b:20.9 occ:1.00 O B:MET107 2.3 19.4 1.0 O A:HOH2109 2.3 20.2 1.0 O B:ASN110 2.4 21.8 1.0 O A:LYS108 2.4 21.9 1.0 O A:HOH2110 2.4 21.6 1.0 C A:LYS108 3.4 14.8 1.0 C B:ASN110 3.5 21.3 1.0 C B:MET107 3.5 17.4 1.0 CE2 B:TYR117 3.6 17.3 1.0 CD2 B:TYR117 3.8 16.8 1.0 CA A:LYS108 3.9 18.4 0.5 CA A:LYS108 3.9 18.4 0.5 O B:LYS108 3.9 20.6 1.0 CA B:ALA111 4.0 20.4 1.0 O A:MET107 4.1 18.3 1.0 O A:ASN110 4.1 19.2 1.0 O A:HOH2115 4.2 30.1 1.0 N B:ALA111 4.2 21.0 1.0 C B:LYS108 4.2 17.9 1.0 N B:ARG112 4.2 19.2 1.0 C B:ALA111 4.2 20.4 1.0 CA B:LYS108 4.4 19.7 1.0 N B:LYS108 4.4 17.3 1.0 N B:ASN110 4.5 20.3 1.0 CA B:MET107 4.5 18.8 1.0 N A:TYR109 4.6 18.9 1.0 CA B:ASN110 4.6 21.0 1.0 C A:ASN110 4.6 19.5 1.0 C A:TYR109 4.7 22.5 1.0 O A:TYR109 4.8 21.4 1.0 CZ B:TYR117 4.9 16.9 1.0 N A:ASN110 4.9 19.1 1.0 N A:LYS108 4.9 17.6 1.0 C A:MET107 4.9 15.2 1.0 CB A:LYS108 4.9 20.7 0.5 CB A:LYS108 4.9 20.7 0.5 O B:ALA111 4.9 21.2 1.0 CA A:TYR109 5.0 19.2 1.0

N.M.Pearce, M.Fairhead, C.Strain-Damerell, R.Talon, N.Wright, J.T.Ng, A.Bradley, O.Cox, D.Bowkett, P.Collins, J.Brandao-Neto, A.Douangamath, T.Krojer, N.Burgess-Brown, P.Brennan, C.H.Arrowsmith, E.Edwards, C.Bountra, F.Von Delft. Crystal Structure of the Bromodomain of Human Surface Epitope Engineered BRD1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One To Be Published.