Bromine in PDB 6qju: Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine

The structure of Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine, PDB code: 6qju was solved by M.B.Braun, T.Stehle, J.Heidrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.67 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.951, 62.071, 84.783, 90.00, 90.00, 90.00
R / Rfree (%)	14.1 / 16

The structure of Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Bromine atom in the Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine (pdb code 6qju). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine, PDB code: 6qju:

Bromine binding site 1 out of 1 in the Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Human Bromodomain Containing Protein 3 (BRD3) in Complex with 3-Bromo-1H-Indazol-5-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:21.4 occ:0.40 BR A:J58304 0.0 21.4 0.4 C02 A:J58304 1.9 19.8 0.6 O A:PRO58 2.8 12.1 1.0 N03 A:J58304 2.9 20.3 0.6 C06 A:J58304 3.0 18.7 0.6 O A:HOH439 3.5 12.7 1.0 C07 A:J58304 3.6 18.9 0.6 CB A:PRO58 3.6 12.3 1.0 C A:PRO58 3.6 10.8 1.0 CA A:PRO58 4.0 11.0 1.0 N04 A:J58304 4.0 19.8 0.6 O A:HOH450 4.0 43.5 1.0 C05 A:J58304 4.1 20.0 0.6 O A:HOH489 4.1 21.5 1.0 CG2 A:VAL63 4.2 16.4 1.0 CD1 A:ILE122 4.6 19.0 1.0 CD1 A:LEU68 4.6 32.2 1.0 N A:PHE59 4.6 10.2 1.0 CD1 A:PHE59 4.8 15.1 1.0 CE1 A:PHE59 4.8 16.4 1.0 CG1 A:ILE122 4.9 16.5 1.0 C08 A:J58304 4.9 17.2 0.6 CG A:PRO58 5.0 11.6 1.0 CA A:PHE59 5.0 10.5 1.0

M.B.Braun, S.Stehle, J.Heidrich, F.M.Boeckler. Br-O-Modomain (BRD3) Halogen Binding to A Small Molecule To Be Published.