Bromine in PDB 7euw: X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H- Pyrazol-3-Yl]Phenoxy] (HA174)

The structure of X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H- Pyrazol-3-Yl]Phenoxy] (HA174), PDB code: 7euw was solved by S.Sugiyama, K.Kakinouchi, R.Nakano, S.Matsuoka, H.Tsuchikawa, M.Sonoyama, Y.Inoue, F.Hayashi, M.Murata, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.553, 70.421, 34.502, 90, 90, 90
R / Rfree (%)	16.2 / 20.5

The binding sites of Bromine atom in the X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H- Pyrazol-3-Yl]Phenoxy] (HA174) (pdb code 7euw). 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 X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H- Pyrazol-3-Yl]Phenoxy] (HA174), PDB code: 7euw:

Bromine binding site 1 out of 1 in the X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H- Pyrazol-3-Yl]Phenoxy] (HA174)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of High-Strength Hydrogel-Grown FABP3 Crystal Soaked in 50% Dmso Solution Containing 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H- Pyrazol-3-Yl]Phenoxy] (HA174) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:44.3 occ:0.71 BR A:JEC201 0.0 44.3 0.7 C23 A:JEC201 1.9 29.9 0.7 C22 A:JEC201 2.8 27.3 0.7 C24 A:JEC201 2.9 26.4 0.7 CG1 A:VAL32 3.6 20.3 1.0 CE A:LYS58 3.9 38.5 1.0 CB A:PHE57 3.9 29.4 0.5 CB A:VAL32 4.0 18.5 1.0 O A:PHE57 4.1 28.0 1.0 C21 A:JEC201 4.1 24.8 0.7 C25 A:JEC201 4.2 23.9 0.7 C A:PHE57 4.4 27.6 1.0 NZ A:LYS58 4.5 46.2 1.0 CB A:LYS58 4.6 24.4 1.0 C20 A:JEC201 4.7 21.7 0.7 CG2 A:VAL32 4.7 19.9 1.0 CA A:PHE57 4.7 29.4 1.0 CG2 A:THR29 4.8 19.7 1.0 CD A:LYS58 5.0 33.6 1.0

S.Sugiyama, K.Kakinouchi, S.Matsuoka, H.Tsuchikawa, M.Sonoyama, Y.Inoue, F.Hayashi, M.Murata. X-Ray Structure of the Human Heart Fatty Acid-Binding Protein Complexed with 4-[2-[1-(4-Bromophenyl)-5-Phenyl-1H-Pyrazol-3-Yl]Phenoxy] (HA176) To Be Published.