Chlorine in PDB 3owd: Crystal Structure of HSP90 with N-Aryl-Benzimidazolone II

The structure of Crystal Structure of HSP90 with N-Aryl-Benzimidazolone II, PDB code: 3owd was solved by C.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.63
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.943, 85.574, 96.844, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 19.9

The binding sites of Chlorine atom in the Crystal Structure of HSP90 with N-Aryl-Benzimidazolone II (pdb code 3owd). 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 Crystal Structure of HSP90 with N-Aryl-Benzimidazolone II, PDB code: 3owd:

Chlorine binding site 1 out of 1 in the Crystal Structure of HSP90 with N-Aryl-Benzimidazolone II


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of HSP90 with N-Aryl-Benzimidazolone II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:15.9 occ:1.00 CL34 A:MEY1 0.0 15.9 1.0 C22 A:MEY1 1.7 13.4 1.0 C11 A:MEY1 2.7 13.6 1.0 C20 A:MEY1 2.7 13.5 1.0 O32 A:MEY1 2.9 13.7 1.0 CD1 A:PHE138 3.4 14.7 1.0 ND2 A:ASN51 3.4 13.1 1.0 CG A:PHE138 3.8 13.0 1.0 CD2 A:LEU107 3.9 22.6 1.0 CB A:PHE138 3.9 12.5 1.0 C18 A:MEY1 4.0 11.6 1.0 C12 A:MEY1 4.0 13.0 1.0 CE1 A:PHE138 4.1 14.4 1.0 C1 A:MEY1 4.1 17.9 1.0 CG A:ASN51 4.4 15.2 1.0 C4 A:MEY1 4.4 20.3 1.0 CD1 A:LEU107 4.4 18.6 1.0 CB A:ASN51 4.4 11.7 1.0 C19 A:MEY1 4.5 13.7 1.0 CG A:LEU107 4.7 20.4 1.0 CE A:MET98 4.8 13.6 1.0 CD2 A:PHE138 4.8 14.0 1.0 CA A:PHE138 4.9 11.2 1.0

M.Bruncko, S.K.Tahir, X.Song, J.Chen, H.Ding, J.R.Huth, S.Jin, R.A.Judge, D.J.Madar, C.H.Park, C.M.Park, A.M.Petros, C.Tse, S.H.Rosenberg, S.W.Elmore. N-Aryl-Benzimidazolones As Novel Small Molecule HSP90 Inhibitors. Bioorg.Med.Chem.Lett. V. 20 7503 2010.
ISSN: ISSN 0960-894X
PubMed: 21106457
DOI: 10.1016/J.BMCL.2010.10.010