Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision

Table 1 Area under the ROC curve of pairwise ProCare similarity scores^a

Target	Site	Number of subpockets^b	ROCAUC
HIV-1 RT	Non-nucleoside	195 (122)	0.84
β2 adrenergic receptor	Orthosteric	14 (14)	0.35
Carbonic anhydrase II	Catalytic	183 (137)	0.38
Cyclin-dependent kinase 2	Catalytic	461 (274)	0.63
Heat shock protein 90α	Catalytic	214 (117)	0.64
Thrombin	Catalytic	253 (126)	0.35

^aFor each target, the similarity scores of the corresponding subpockets (actives) and decoys (any other subpocket) to the TNF-α query (PDB ID 6OOY) are used to compute the area under the ROC curve
^bTotal number of subpockets for the corresponding target. The number of PDB entries are in brackets

ISSN: 1758-2946