Chlorine in PDB 7d22: HSP90 Alpha N-Terminal Domain in Complex with A 6B Compund

The structure of HSP90 Alpha N-Terminal Domain in Complex with A 6B Compund, PDB code: 7d22 was solved by S.C.Shin, E.E.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.32 / 1.60
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	68.146, 89.903, 98.788, 90, 90, 90
R / Rfree (%)	19.4 / 22.2

The binding sites of Chlorine atom in the HSP90 Alpha N-Terminal Domain in Complex with A 6B Compund (pdb code 7d22). 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 A 6B Compund, PDB code: 7d22:

Chlorine binding site 1 out of 1 in the HSP90 Alpha N-Terminal Domain in Complex with A 6B Compund


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 A 6B Compund within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:18.1 occ:1.00 CL1 A:GQ0301 0.0 18.1 1.0 C08 A:GQ0301 1.8 16.2 1.0 N07 A:GQ0301 2.7 15.5 1.0 C09 A:GQ0301 2.8 16.7 1.0 O A:GLY97 3.2 16.5 1.0 N01 A:GQ0301 3.3 16.6 1.0 O A:HOH465 3.4 15.0 1.0 CG2 A:ILE96 3.4 16.2 1.0 O A:HOH531 3.4 18.3 1.0 C A:GLY97 3.5 16.1 1.0 N A:GLY97 3.5 14.6 1.0 O A:HOH638 3.6 18.1 1.0 CB A:ALA55 3.6 13.2 1.0 CA A:GLY97 3.8 15.9 1.0 CG A:MET98 3.8 15.9 1.0 O A:HOH481 3.9 15.3 1.0 C06 A:GQ0301 3.9 16.4 1.0 C04 A:GQ0301 4.0 15.1 1.0 N A:MET98 4.3 14.5 1.0 C A:ILE96 4.4 16.0 1.0 O A:HOH511 4.4 18.2 1.0 N05 A:GQ0301 4.5 15.9 1.0 OG1 A:THR184 4.5 14.9 1.0 CA A:ALA55 4.5 12.7 1.0 C02 A:GQ0301 4.6 15.5 1.0 N A:ILE96 4.7 14.6 1.0 CB A:ILE96 4.7 16.1 1.0 CA A:MET98 4.7 14.4 1.0 SD A:MET98 4.7 15.1 1.0 CA A:ILE96 4.8 14.4 1.0 CB A:MET98 4.9 13.8 1.0 CE A:MET98 4.9 15.7 1.0 N03 A:GQ0301 4.9 16.1 1.0

S.C.Shin, A.K.El-Damasy, J.H.Lee, S.H.Seo, J.H.Kim, Y.H.Seo, Y.Lee, J.H.Yu, E.K.Bang, E.E.Kim, G.Keum. Structural Basis For Design of New Purine-Based Inhibitors Targeting the Hydrophobic Binding Pocket of HSP90. Int J Mol Sci V. 21 2020.
ISSN: ESSN 1422-0067
PubMed: 33317068
DOI: 10.3390/IJMS21249377