Fluorine in PDB 5lr7: Crystal Structure of HSP90 in Complex with SAR567530

The structure of Crystal Structure of HSP90 in Complex with SAR567530, PDB code: 5lr7 was solved by F.Vallee, A.Dupuy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.94 / 1.86
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.628, 98.223, 90.539, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.1

The binding sites of Fluorine atom in the Crystal Structure of HSP90 in Complex with SAR567530 (pdb code 5lr7). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of HSP90 in Complex with SAR567530, PDB code: 5lr7:

Fluorine binding site 1 out of 1 in the Crystal Structure of HSP90 in Complex with SAR567530


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of HSP90 in Complex with SAR567530 within 5.0Å range: probe atom residue distance (Å) B Occ A:F4000 b:28.9 occ:1.00 F35 A:73J4000 0.0 28.9 1.0 C33 A:73J4000 1.4 17.8 1.0 C34 A:73J4000 2.3 13.4 1.0 C32 A:73J4000 2.4 14.7 1.0 O A:HOH4114 2.4 27.3 1.0 CG2 A:ILE26 3.3 25.8 1.0 O A:HOH4207 3.3 31.6 1.0 CD1 A:PHE22 3.5 16.4 1.0 C29 A:73J4000 3.6 14.0 1.0 C31 A:73J4000 3.6 12.6 1.0 O A:HOH4233 4.0 26.8 1.0 C30 A:73J4000 4.1 12.9 1.0 CE1 A:PHE22 4.1 16.8 1.0 CA A:GLY108 4.2 14.7 1.0 CB A:ILE26 4.3 22.0 1.0 N A:GLN23 4.3 16.2 1.0 CA A:PHE22 4.3 12.2 1.0 CG1 A:ILE26 4.4 22.1 1.0 CG A:PHE22 4.5 13.4 1.0 CE2 A:PHE170 4.6 16.1 1.0 CB A:PHE22 4.6 13.0 1.0 O A:GLY108 4.6 17.1 1.0 CB A:ALA111 4.7 14.9 1.0 C A:PHE22 4.8 18.1 1.0 N28 A:73J4000 4.8 13.3 1.0 C A:GLY108 4.9 16.8 1.0

F.Vallee, A.Dupuy. Crystal Structure of HSP90 in Complex with SAR567530 To Be Published.