Bromine in PDB 4r3m: Crystal Structure of Human HSP90 with JR9

The structure of Crystal Structure of Human HSP90 with JR9, PDB code: 4r3m was solved by J.Li, M.Yang, J.Ren, B.Xiong, J.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.47 / 1.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.578, 90.926, 98.894, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 23.4

The binding sites of Bromine atom in the Crystal Structure of Human HSP90 with JR9 (pdb code 4r3m). 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 HSP90 with JR9, PDB code: 4r3m:

Bromine binding site 1 out of 1 in the Crystal Structure of Human HSP90 with JR9


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 HSP90 with JR9 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:22.6 occ:1.00 BR A:JR9301 0.0 22.6 1.0 C21 A:JR9301 1.9 18.8 1.0 C22 A:JR9301 2.8 16.8 1.0 C20 A:JR9301 2.9 18.4 1.0 C19 A:JR9301 3.2 21.0 1.0 O A:GLY135 3.6 27.3 1.0 CB A:PHE138 3.9 15.4 1.0 CE2 A:TYR139 4.1 17.3 1.0 C23 A:JR9301 4.2 17.7 1.0 C25 A:JR9301 4.2 17.2 1.0 CD2 A:LEU107 4.2 28.5 1.0 CA A:VAL136 4.6 19.0 1.0 C08 A:JR9301 4.6 19.2 1.0 CG A:PHE138 4.7 16.6 1.0 C24 A:JR9301 4.7 18.5 1.0 OH A:TYR139 4.7 17.9 1.0 C A:GLY135 4.7 25.5 1.0 CZ A:TYR139 4.8 17.9 1.0 N11 A:JR9301 4.8 19.4 1.0 CD2 A:TYR139 4.8 15.8 1.0 CD2 A:PHE138 4.9 16.9 1.0 N A:PHE138 4.9 14.6 1.0

J.Li, M.Yang, J.Ren, B.Xiong, J.He. Multi-Substituted 8-Aminoimidazo[1,2-A]Pyrazines By Groebke-Blackburn-Bienaym Reaction and Their HSP90 Inhibitory Activity To Be Published.