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

The structure of Human HSP90-Alpha with 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9H- Purin-6-Ylamine, PDB code: 1uyi 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 / 2.20
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.956, 90.874, 99.576, 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-9-Pent-9H- Purin-6-Ylamine (pdb code 1uyi). 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-9-Pent-9H- Purin-6-Ylamine, PDB code: 1uyi:

Fluorine binding site 1 out of 1 in the Human HSP90-Alpha with 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-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-9-Pent-9H- Purin-6-Ylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:F1224 b:40.3 occ:1.00 F1 A:PUZ1224 0.0 40.3 1.0 C14 A:PUZ1224 1.3 36.4 1.0 N4 A:PUZ1224 2.3 36.6 1.0 N3 A:PUZ1224 2.3 35.7 1.0 O A:HOH2211 3.0 35.6 1.0 N A:GLY97 3.2 39.5 1.0 O A:GLY97 3.3 39.9 1.0 O A:HOH2262 3.3 38.9 1.0 C A:GLY97 3.4 40.8 1.0 CG2 A:ILE96 3.4 37.2 1.0 C12 A:PUZ1224 3.5 35.6 1.0 CB A:ALA55 3.5 36.3 1.0 C13 A:PUZ1224 3.5 35.8 1.0 CA A:GLY97 3.5 39.9 1.0 CG A:MET98 3.9 38.1 1.0 OG1 A:THR184 4.0 37.5 1.0 O A:HOH2073 4.0 43.1 1.0 C11 A:PUZ1224 4.0 36.5 1.0 N A:MET98 4.1 41.4 1.0 C A:ILE96 4.2 39.0 1.0 O A:HOH2146 4.3 34.7 1.0 N A:ILE96 4.4 38.6 1.0 N5 A:PUZ1224 4.6 33.8 1.0 CA A:ALA55 4.6 36.9 1.0 CB A:ILE96 4.6 38.9 1.0 CA A:ILE96 4.6 39.0 1.0 N2 A:PUZ1224 4.7 39.3 1.0 CA A:MET98 4.8 40.4 1.0 O A:HOH2063 4.8 37.1 1.0 SD A:MET98 4.9 39.3 1.0 CB A:MET98 4.9 41.3 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