Chlorine in PDB 7d26: HSP90 Alpha N-Terminal Domain in Complex with A 8 Compund

The structure of HSP90 Alpha N-Terminal Domain in Complex with A 8 Compund, PDB code: 7d26 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)	30.74 / 1.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.613, 89.389, 98.216, 90, 90, 90
R / Rfree (%)	19.3 / 22.8

The binding sites of Chlorine atom in the HSP90 Alpha N-Terminal Domain in Complex with A 8 Compund (pdb code 7d26). 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 8 Compund, PDB code: 7d26:

Chlorine binding site 1 out of 1 in the HSP90 Alpha N-Terminal Domain in Complex with A 8 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 8 Compund within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.9 occ:1.00 CL2 A:GQ9301 0.0 22.9 1.0 C08 A:GQ9301 1.8 18.7 1.0 N07 A:GQ9301 2.7 17.1 1.0 C09 A:GQ9301 2.7 19.3 1.0 O A:GLY97 3.1 20.8 1.0 N01 A:GQ9301 3.3 18.1 1.0 O A:HOH426 3.3 17.0 1.0 C A:GLY97 3.4 21.9 1.0 CG2 A:ILE96 3.4 20.1 1.0 O A:HOH491 3.5 21.7 1.0 N A:GLY97 3.5 20.1 1.0 CB A:ALA55 3.6 15.7 1.0 CG A:MET98 3.7 21.1 1.0 O A:HOH577 3.7 22.6 1.0 CA A:GLY97 3.8 20.1 1.0 O A:HOH451 3.9 20.5 1.0 C06 A:GQ9301 3.9 17.8 1.0 C04 A:GQ9301 4.0 17.5 1.0 N A:MET98 4.2 17.9 1.0 C A:ILE96 4.4 20.4 1.0 N05 A:GQ9301 4.5 18.2 1.0 OG1 A:THR184 4.5 17.5 1.0 C02 A:GQ9301 4.6 17.6 1.0 CA A:ALA55 4.6 17.4 1.0 CA A:MET98 4.6 17.0 1.0 SD A:MET98 4.7 26.7 1.0 N A:ILE96 4.7 18.3 1.0 CB A:ILE96 4.7 21.5 1.0 O A:HOH473 4.7 19.6 1.0 CB A:MET98 4.8 17.9 1.0 CA A:ILE96 4.8 18.9 1.0 CE A:MET98 4.8 22.2 1.0 N03 A:GQ9301 4.9 18.4 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