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Table 2 Interaction of Babesia orientalis HSP90-A and B isoforms with inhibitors using docking analysis

From: Identification of two novel HSP90 proteins in Babesia orientalis: molecular characterization, and computational analyses of their structure, function, antigenicity and inhibitor interaction

Name Protein showing interaction Template ID PDB code
Geldanamycin BoHSP90-A, BoHSP90-B Gmy1 2exl
Radamide BoHSP90-A, BoHSP90-B Rda1001 2gfd
Redicicol BoHSP90-A, BoHSP90-B Rdc301 1u0z
Dihydroxyphenylpyrazoles BoHSP90-A, BoHSP90-B 4BC401 1yc1
PU8(8-(2-chloro-3,4,5-trimethoxy-benzyl)-2-fluoro-9-pent-4-ylnyl-9 h-purin-6-ylamine) BoHSP90-B PU11224 1uyf
PU11 (8-(2,5-dimethoxy-benzyl)-2-fluoro-9- pent-9 h-purin-6-ylamine) BoHSP90-A Puz1224 1uyi
1-(2-phenol)-2-naphthol BoHSP90-A, BoHSP90-B AB41226 2bz5
3,4-diaryl pyrazole resorcinol (CCT018159) BoHSP90-A, BoHSP90-B Ct51224 2bt0
4-amino derivative of 3,4-diaryl pyrazole (4-chloro-6-(4-piperazin-1-yl-1 h-pyrazol-3-yl)-benzene-1,2-diol) BoHSP90-B 4BH1224 2ccs
  1. The template IDs are the identification numbers of inhibitors in RCSB Protein Data Bank. The proteins complexed with the inhibitors are indicated by PBD codes.