Chlorine in PDB 3i3j: Crystal Structure of the Bromodomain of Human EP300

All present enzymatic activity of Crystal Structure of the Bromodomain of Human EP300:
2.3.1.48;

The structure of Crystal Structure of the Bromodomain of Human EP300, PDB code: 3i3j was solved by P.Filippakopoulos, S.Picaud, C.Phillips, A.C.W.Pike, J.Muniz, A.Roos, A.Chaikuad, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, J.Weigelt, C.Bountra, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.30 / 2.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	64.899, 86.186, 149.897, 90.00, 96.98, 90.00
R / Rfree (%)	22.9 / 27.5

The binding sites of Chlorine atom in the Crystal Structure of the Bromodomain of Human EP300 (pdb code 3i3j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Bromodomain of Human EP300, PDB code: 3i3j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Bromodomain of Human EP300


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Bromodomain of Human EP300 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:61.0 occ:1.00 O A:LEU1106 3.1 29.1 1.0 O A:LYS1105 3.2 20.5 1.0 N A:TYR1111 3.2 35.0 1.0 CA A:GLY1109 3.3 50.3 1.0 CA A:LEU1106 3.4 30.2 1.0 C A:GLY1109 3.5 62.6 1.0 N A:GLN1110 3.5 56.8 1.0 C A:LEU1106 3.5 51.2 1.0 CB A:TYR1111 3.6 33.1 1.0 O A:TYR1111 3.6 47.6 1.0 N A:GLY1109 3.7 48.7 1.0 CD1 A:LEU1106 3.7 25.8 1.0 CD2 A:TYR1111 3.8 41.1 1.0 CA A:TYR1111 3.9 18.2 1.0 C A:LYS1105 4.0 34.3 1.0 CG A:TYR1111 4.1 39.5 1.0 N A:LEU1106 4.1 16.3 1.0 O A:GLY1109 4.2 64.4 1.0 C A:TYR1111 4.2 21.9 1.0 C A:GLN1110 4.3 57.0 1.0 CA A:GLN1110 4.4 21.0 1.0 CB A:LEU1106 4.5 19.4 1.0 CG A:LEU1106 4.6 40.1 1.0 N A:ASP1107 4.8 41.3 1.0 CE2 A:TYR1111 4.9 35.8 1.0 CD2 A:LEU1054 5.0 55.0 1.0 C A:THR1108 5.0 51.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Bromodomain of Human EP300


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Bromodomain of Human EP300 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2 b:67.9 occ:1.00 CB G:PRO1070 3.2 28.8 1.0 CD1 G:LEU1073 3.2 39.6 1.0 CD E:ARG1137 3.3 78.4 1.0 OH E:TYR1141 3.4 70.9 1.0 CE2 E:TYR1141 3.7 39.4 1.0 NE E:ARG1137 3.9 75.1 1.0 NH1 E:ARG1137 3.9 29.1 1.0 CZ E:TYR1141 4.0 37.5 1.0 CG G:PRO1070 4.1 31.6 1.0 CZ E:ARG1137 4.1 71.4 1.0 CA G:PRO1070 4.4 27.9 1.0 O E:HOH104 4.6 24.4 1.0 CD1 E:LEU1073 4.6 60.3 1.0 CG E:ARG1137 4.7 63.6 1.0 CG G:LEU1073 4.7 48.9 1.0 CB E:PRO1070 4.8 30.5 1.0 OH G:TYR1141 4.8 31.5 1.0 CD2 E:TYR1141 4.8 48.0 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