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

The structure of Human HSP90-Alpha with 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9H-Purin-6- Ylamine, PDB code: 1uyg 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)	67.42 / 2.00
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.651, 90.806, 98.723, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.8

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

Fluorine binding site 1 out of 1 in the Human HSP90-Alpha with 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 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:43.7 occ:1.00 F1 A:PU21224 0.0 43.7 1.0 C14 A:PU21224 1.6 41.3 1.0 N4 A:PU21224 2.5 43.6 1.0 N3 A:PU21224 2.5 43.2 1.0 O A:GLY97 3.1 43.1 1.0 O A:HOH2123 3.1 37.6 1.0 O A:HOH2235 3.2 54.5 1.0 CG2 A:ILE96 3.2 42.3 1.0 N A:GLY97 3.2 43.4 1.0 C A:GLY97 3.4 44.7 1.0 CA A:GLY97 3.6 44.2 1.0 CB A:ALA55 3.6 40.5 1.0 C12 A:PU21224 3.7 42.3 1.0 C13 A:PU21224 3.7 40.5 1.0 CG A:MET98 3.9 43.4 1.0 O A:HOH2066 4.0 56.0 1.0 OG1 A:THR184 4.1 39.5 1.0 C A:ILE96 4.1 43.0 1.0 N A:MET98 4.1 44.3 1.0 O A:HOH2128 4.2 48.5 1.0 C11 A:PU21224 4.2 39.9 1.0 N A:ILE96 4.4 41.4 1.0 CB A:ILE96 4.5 40.5 1.0 CA A:ILE96 4.5 42.3 1.0 CA A:ALA55 4.6 41.2 1.0 CA A:MET98 4.7 44.0 1.0 O A:HOH2057 4.8 45.3 1.0 N2 A:PU21224 4.8 45.0 1.0 CB A:MET98 4.8 43.8 1.0 SD A:MET98 4.8 46.0 1.0 N5 A:PU21224 4.8 36.0 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