Fluorine in PDB 1uyh: Human HSP90-Alpha with 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H- Purin-6-Ylamine

The structure of Human HSP90-Alpha with 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H- Purin-6-Ylamine, PDB code: 1uyh was solved by L.Wright, X.Barril, B.Dymock, L.Sheridan, A.Surgenor, M.Beswick, M.Drysdale, A.Collier, A.Massey, N.Davies, A.Fink, C.Fromont, W.Aherne, K.Boxall, S.Sharp, P.Workman, R.E.Hubbard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	65.94 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.502, 90.414, 98.664, 90.00, 90.00, 90.00
R / Rfree (%)	26.4 / 32.6

The binding sites of Fluorine atom in the Human HSP90-Alpha with 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H- Purin-6-Ylamine (pdb code 1uyh). 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 Human HSP90-Alpha with 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H- Purin-6-Ylamine, PDB code: 1uyh:

Fluorine binding site 1 out of 1 in the Human HSP90-Alpha with 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H- Purin-6-Ylamine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human HSP90-Alpha with 9-Butyl-8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H- Purin-6-Ylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:F1224 b:61.3 occ:1.00 F1 A:PU01224 0.0 61.3 1.0 C14 A:PU01224 1.3 59.1 1.0 N3 A:PU01224 2.3 57.4 1.0 N4 A:PU01224 2.3 59.4 1.0 O A:HOH2193 2.9 54.3 1.0 N A:GLY97 3.3 64.7 1.0 O A:GLY97 3.3 65.2 1.0 CB A:ALA55 3.4 59.7 1.0 CG2 A:ILE96 3.4 67.2 1.0 C13 A:PU01224 3.5 58.5 1.0 C12 A:PU01224 3.6 58.6 1.0 C A:GLY97 3.6 65.4 1.0 O A:HOH2236 3.6 69.4 1.0 CA A:GLY97 3.8 64.8 1.0 O A:HOH2060 4.0 73.5 1.0 OG1 A:THR184 4.0 61.1 1.0 CG A:MET98 4.0 61.0 1.0 C11 A:PU01224 4.0 60.4 1.0 C A:ILE96 4.3 64.4 1.0 N A:MET98 4.4 65.2 1.0 CA A:ALA55 4.5 60.9 1.0 N A:ILE96 4.5 66.5 1.0 O A:HOH2125 4.6 75.2 1.0 N5 A:PU01224 4.6 54.9 1.0 CA A:ILE96 4.6 65.2 1.0 CB A:ILE96 4.7 65.9 1.0 N2 A:PU01224 4.8 62.6 1.0 SD A:MET98 4.8 62.3 1.0 O A:HOH2053 4.9 60.5 1.0

L.Wright, X.Barril, B.Dymock, L.Sheridan, A.Surgenor, M.Beswick, M.Drysdale, A.Collier, A.Massey, N.Davies, A.Fink, C.Fromont, W.Aherne, K.Boxall, S.Sharp, P.Workman, R.E.Hubbard. Structure-Activity Relationships in Purine-Based Inhibitor Binding to HSP90 Isoforms Chem.Biol. V. 11 775 2004.
ISSN: ISSN 1074-5521
PubMed: 15217611
DOI: 10.1016/J.CHEMBIOL.2004.03.033