Chlorine in PDB 5h22: HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor

The structure of HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor, PDB code: 5h22 was solved by E.E.Kim, S.C.Shin, G.C.Keum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.87 / 1.50
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	66.787, 90.581, 98.943, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 20.8

The binding sites of Chlorine atom in the HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor (pdb code 5h22). 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 HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor, PDB code: 5h22:

Chlorine binding site 1 out of 1 in the HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of HSP90 Alpha N-Terminal Domain in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:30.4 occ:1.00 CL A:7FT301 0.0 30.4 1.0 C06 A:7FT301 1.8 13.8 1.0 N01 A:7FT301 2.6 13.6 1.0 C05 A:7FT301 2.8 13.5 1.0 O A:GLY97 3.3 14.7 1.0 C19 A:7FT301 3.3 17.6 1.0 C09 A:7FT301 3.4 13.7 1.0 CG2 A:ILE96 3.4 17.5 1.0 O A:HOH628 3.5 25.0 1.0 O A:HOH468 3.5 14.9 1.0 CB A:ALA55 3.6 14.6 1.0 C A:GLY97 3.8 15.0 1.0 N A:GLY97 3.8 14.6 1.0 C02 A:7FT301 3.9 14.9 1.0 C04 A:7FT301 4.0 14.3 1.0 O A:HOH493 4.0 20.1 1.0 CG A:MET98 4.1 17.1 1.0 O A:HOH553 4.1 23.8 1.0 CA A:GLY97 4.1 14.3 1.0 O A:HOH572 4.2 23.7 1.0 N03 A:7FT301 4.5 13.8 1.0 CA A:ALA55 4.5 14.1 1.0 C A:ILE96 4.7 16.2 1.0 OG1 A:THR184 4.7 15.3 1.0 N A:MET98 4.7 14.3 1.0 C08 A:7FT301 4.8 15.1 1.0 CB A:ILE96 4.8 15.7 1.0 C20 A:7FT301 4.8 16.0 1.0 N A:ILE96 4.9 12.6 1.0 SD A:MET98 4.9 17.0 1.0 N11 A:7FT301 5.0 14.9 1.0 CA A:ILE96 5.0 14.6 1.0 N07 A:7FT301 5.0 13.0 1.0

J.H.Lee, S.C.Shin, S.H.Seo, Y.H.Seo, N.Jeong, C.W.Kim, E.E.Kim, G.Keum. Synthesis and in Vitro Antiproliferative Activity of C5-Benzyl Substituted 2-Amino-Pyrrolo[2,3-D]Pyrimidines As Potent HSP90 Inhibitors. Bioorg. Med. Chem. Lett. V. 27 237 2017.
ISSN: ESSN 1464-3405
PubMed: 27914802
DOI: 10.1016/J.BMCL.2016.11.062