Chlorine in PDB 1uye: Human HSP90-Alpha with 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4- Ylnyl-9H-Purin-6-Ylamine

The structure of Human HSP90-Alpha with 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4- Ylnyl-9H-Purin-6-Ylamine, PDB code: 1uye 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 (°)	66.700, 90.755, 98.171, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.8

The binding sites of Chlorine atom in the Human HSP90-Alpha with 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4- Ylnyl-9H-Purin-6-Ylamine (pdb code 1uye). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Human HSP90-Alpha with 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4- Ylnyl-9H-Purin-6-Ylamine, PDB code: 1uye:

Chlorine binding site 1 out of 1 in the Human HSP90-Alpha with 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4- Ylnyl-9H-Purin-6-Ylamine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human HSP90-Alpha with 8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)-9-Pent-4- Ylnyl-9H-Purin-6-Ylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1224 b:32.2 occ:1.00 CL A:PU91224 0.0 32.2 1.0 C13 A:PU91224 1.8 35.0 1.0 C15 A:PU91224 2.8 37.3 1.0 C12 A:PU91224 2.8 32.3 1.0 C5 A:PU91224 3.2 30.7 1.0 C6 A:PU91224 3.2 29.5 1.0 N3 A:PU91224 3.2 29.6 1.0 O3 A:PU91224 3.2 39.1 1.0 CE1 A:PHE138 3.5 28.3 1.0 CD1 A:PHE138 3.6 31.7 1.0 CE A:MET98 3.7 26.4 1.0 N4 A:PU91224 3.9 29.1 1.0 O A:HOH2276 3.9 26.5 1.0 C2 A:PU91224 4.0 30.0 1.0 SD A:MET98 4.0 28.5 1.0 C17 A:PU91224 4.1 37.5 1.0 C14 A:PU91224 4.1 34.0 1.0 C20 A:PU91224 4.1 43.5 1.0 CZ A:PHE138 4.2 30.9 1.0 CG2 A:VAL150 4.2 27.1 1.0 CG1 A:VAL150 4.2 24.9 1.0 C1 A:PU91224 4.3 30.4 1.0 CG A:PHE138 4.3 30.9 1.0 CG2 A:VAL186 4.3 27.2 1.0 C16 A:PU91224 4.6 35.7 1.0 C7 A:PU91224 4.7 32.1 1.0 CB A:VAL150 4.8 27.3 1.0 CE2 A:PHE138 4.8 31.6 1.0 CD2 A:PHE138 4.9 28.5 1.0 C3 A:PU91224 4.9 28.7 1.0 CG2 A:THR184 4.9 26.2 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