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

The structure of Human HSP90-Alpha with 9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)- 9H-Purin-6-Ylamine, PDB code: 1uyd 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 (°)	66.594, 91.169, 98.210, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.8

The binding sites of Chlorine atom in the Human HSP90-Alpha with 9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)- 9H-Purin-6-Ylamine (pdb code 1uyd). 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 9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)- 9H-Purin-6-Ylamine, PDB code: 1uyd:

Chlorine binding site 1 out of 1 in the Human HSP90-Alpha with 9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)- 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 9-Butyl-8-(2-Chloro-3,4,5-Trimethoxy-Benzyl)- 9H-Purin-6-Ylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1224 b:31.3 occ:1.00 CL A:PU81224 0.0 31.3 1.0 C6 A:PU81224 1.7 36.1 1.0 C5 A:PU81224 2.7 38.1 1.0 C1 A:PU81224 2.8 35.3 1.0 O3 A:PU81224 3.1 38.5 1.0 C10 A:PU81224 3.2 34.9 1.0 C9 A:PU81224 3.2 34.8 1.0 N1 A:PU81224 3.3 31.8 1.0 C19 A:PU81224 3.3 43.3 1.0 CE A:MET98 3.4 31.0 1.0 CD1 A:PHE138 3.6 30.4 1.0 CE1 A:PHE138 3.6 28.2 1.0 N2 A:PU81224 3.9 37.2 1.0 SD A:MET98 4.0 28.8 1.0 C4 A:PU81224 4.0 38.0 1.0 C11 A:PU81224 4.0 32.6 1.0 O A:HOH2276 4.0 35.1 1.0 C2 A:PU81224 4.0 35.5 1.0 CG1 A:VAL150 4.2 23.8 1.0 CG2 A:VAL150 4.2 25.4 1.0 CG A:PHE138 4.2 30.3 1.0 CZ A:PHE138 4.3 28.6 1.0 C12 A:PU81224 4.3 36.1 1.0 C3 A:PU81224 4.6 37.0 1.0 CG2 A:VAL186 4.6 27.7 1.0 C15 A:PU81224 4.6 39.9 1.0 CB A:VAL150 4.8 27.6 1.0 CD2 A:PHE138 4.8 28.1 1.0 CE2 A:PHE138 4.8 29.5 1.0 C13 A:PU81224 4.9 30.2 1.0 CG2 A:THR184 4.9 24.8 1.0 CB A:PHE138 5.0 31.2 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