Bromine in PDB 4rg2: Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand

The structure of Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand, PDB code: 4rg2 was solved by A.Dong, P.Mader, L.James, M.Perfetti, W.Tempel, S.Frye, C.Bountra, C.H.Arrowsmith, A.M.Edwards, P.J.Brown, Structural Genomics Consortium(Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	73.548, 100.458, 83.348, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22

The binding sites of Bromine atom in the Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand (pdb code 4rg2). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand, PDB code: 4rg2:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1701 b:31.9 occ:0.70 BR A:3OO1701 0.0 31.9 0.7 O A:3OO1701 1.3 17.1 0.3 C7 A:3OO1701 1.6 19.4 0.3 C8 A:3OO1701 1.9 20.2 0.3 C12 A:3OO1701 1.9 24.9 0.7 C9 A:3OO1701 2.0 20.4 0.3 UNK B:UNX1702 2.3 30.0 0.3 C11 A:3OO1701 2.8 24.5 0.7 C13 A:3OO1701 2.9 24.1 0.7 N1 A:3OO1701 2.9 19.3 0.3 C13 A:3OO1701 3.2 21.3 0.3 C10 A:3OO1701 3.3 20.3 0.3 C6 A:3OO1701 3.8 19.8 0.3 O B:MET1584 4.1 19.9 0.3 N B:ASP1521 4.1 21.1 1.0 C12 A:3OO1701 4.1 21.6 0.3 CE B:MET1584 4.1 15.9 0.3 O B:MET1584 4.1 21.6 0.7 O B:HOH1816 4.1 26.6 1.0 C10 A:3OO1701 4.1 23.3 0.7 C8 A:3OO1701 4.2 23.7 0.7 C11 A:3OO1701 4.2 21.4 0.3 CB B:ASP1520 4.3 22.1 1.0 C A:3OO1701 4.3 22.4 0.7 CB B:MET1584 4.3 25.4 0.7 CB B:ASP1521 4.4 21.7 1.0 CD1 B:TYR1502 4.4 23.0 1.0 N B:ASP1520 4.5 21.1 1.0 O B:SER1503 4.5 21.1 1.0 C B:ASP1520 4.6 21.4 1.0 CB B:TYR1502 4.6 21.1 1.0 CA B:ASP1520 4.7 21.5 1.0 C9 A:3OO1701 4.7 22.6 0.7 CG B:ASP1521 4.7 24.4 1.0 CB B:MET1584 4.7 18.4 0.3 CA B:ASP1521 4.8 22.1 1.0 C5 A:3OO1701 4.9 19.5 0.3 CG B:TYR1502 4.9 22.3 1.0 C B:MET1584 5.0 20.5 0.7 CA B:MET1584 5.0 22.1 0.7 CG B:MET1584 5.0 26.6 0.7 C B:MET1584 5.0 19.2 0.3 OD1 B:ASP1521 5.0 23.7 1.0 SD B:MET1584 5.0 31.1 0.7

Bromine binding site 2 out of 2 in the Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1701 b:25.2 occ:0.30 BR A:3OO1701 0.0 25.2 0.3 O A:3OO1701 1.4 22.9 0.7 C7 A:3OO1701 1.8 23.7 0.7 C12 A:3OO1701 1.9 21.6 0.3 C9 A:3OO1701 2.0 22.6 0.7 C8 A:3OO1701 2.0 23.7 0.7 UNK A:UNX1704 2.2 30.0 0.7 C11 A:3OO1701 2.8 21.4 0.3 C13 A:3OO1701 2.9 21.3 0.3 N1 A:3OO1701 3.1 23.0 0.7 C10 A:3OO1701 3.2 23.3 0.7 O A:HOH1828 3.2 21.1 0.5 C13 A:3OO1701 3.3 24.1 0.7 CG A:MET1584 3.4 15.0 0.3 CE A:MET1584 3.9 27.1 0.7 O A:MET1584 4.0 18.7 0.7 C6 A:3OO1701 4.0 23.5 0.7 O A:MET1584 4.0 16.8 0.3 N A:ASP1521 4.1 20.9 1.0 C12 A:3OO1701 4.1 24.9 0.7 C11 A:3OO1701 4.1 24.5 0.7 SD A:MET1584 4.1 15.5 0.3 C10 A:3OO1701 4.1 20.3 0.3 C8 A:3OO1701 4.2 20.2 0.3 CB A:ASP1521 4.2 22.4 1.0 O A:HOH1828 4.2 15.0 0.5 CB A:ASP1520 4.4 19.6 1.0 C A:3OO1701 4.4 21.3 0.3 CB A:MET1584 4.4 20.9 0.7 CG A:ASP1521 4.5 21.7 1.0 CD2 A:TYR1502 4.5 20.1 1.0 N A:ASP1520 4.5 18.5 1.0 O A:SER1503 4.5 17.7 1.0 CB A:TYR1502 4.6 19.6 1.0 C9 A:3OO1701 4.7 20.4 0.3 CB A:MET1584 4.7 15.4 0.3 C A:ASP1520 4.7 20.1 1.0 CA A:ASP1521 4.7 21.3 1.0 OD2 A:ASP1521 4.8 23.4 1.0 CA A:ASP1520 4.8 18.9 1.0 C A:MET1584 4.8 17.6 0.7 C A:MET1584 4.8 16.3 0.3 CA A:MET1584 4.8 18.9 0.7 OD1 A:ASP1521 4.9 22.0 1.0 CA A:MET1584 4.9 16.0 0.3 CG A:TYR1502 5.0 19.9 1.0

P.Mader, A.Dong, L.James, M.Perfetti, W.Tempel, S.Frye, C.Bountra, C.H.Arrowsmith, A.M.Edwards, P.J.Brown. Crystal Structure of Tudor Domain of Tumor Suppressor P53BP1 with Small Molecule Ligand To Be Published.