Chlorine in PDB 2iwx: Analogues of Radicicol Bound to the Atp-Binding Site of HSP90.

The structure of Analogues of Radicicol Bound to the Atp-Binding Site of HSP90., PDB code: 2iwx was solved by S.M.Roe, C.Prodromou, L.H.Pearl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.72 / 1.5
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	73.703, 73.703, 110.019, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.6

The binding sites of Chlorine atom in the Analogues of Radicicol Bound to the Atp-Binding Site of HSP90. (pdb code 2iwx). 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 Analogues of Radicicol Bound to the Atp-Binding Site of HSP90., PDB code: 2iwx:

Chlorine binding site 1 out of 1 in the Analogues of Radicicol Bound to the Atp-Binding Site of HSP90.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Analogues of Radicicol Bound to the Atp-Binding Site of HSP90. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1215 b:16.2 occ:1.00 CL1 A:M1S1215 0.0 16.2 1.0 C6 A:M1S1215 1.8 12.1 1.0 C5 A:M1S1215 2.7 12.7 1.0 C7 A:M1S1215 2.7 14.7 1.0 O4 A:M1S1215 2.9 13.1 1.0 C8 A:M1S1215 3.0 15.0 1.0 CD1 A:PHE124 3.2 25.9 1.0 ND2 A:ASN37 3.4 27.7 1.0 C9 A:M1S1215 3.7 17.4 1.0 CG A:PHE124 3.7 24.9 1.0 CB A:PHE124 3.7 23.8 1.0 C10 A:M1S1215 3.8 19.2 1.0 CE1 A:PHE124 4.0 25.9 1.0 C2 A:M1S1215 4.0 11.4 1.0 C4 A:M1S1215 4.0 12.9 1.0 CD2 A:LEU93 4.1 31.4 1.0 CG A:ASN37 4.4 24.4 1.0 O A:HOH2270 4.4 35.5 1.0 C3 A:M1S1215 4.5 11.8 1.0 CB A:ASN37 4.5 24.6 1.0 O5 A:M1S1215 4.6 20.7 1.0 CA A:PHE124 4.7 23.3 1.0 CD2 A:PHE124 4.7 25.6 1.0 O A:HOH2274 4.7 14.6 1.0 CD2 A:LEU173 4.8 26.7 1.0 CD1 A:LEU173 4.8 26.1 1.0 CZ A:PHE124 4.9 25.5 1.0

N.Proisy, S.Y.Sharp, K.Boxall, S.Connelly, S.M.Roe, C.Prodromou, A.M.Z.Slawin, L.H.Pearl, P.Workman, C.J.Moody. Inhibition of HSP90 with Synthetic Macrolactones: Synthesis and Structural and Biological Evaluation of Ring and Conformational Analogs of Radicicol. Chem.Biol. V. 13 1203 2006.
ISSN: ISSN 1074-5521
PubMed: 17114002
DOI: 10.1016/J.CHEMBIOL.2006.09.015