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Table 2 Bound inhibitors of the HIV-1 reverse transcriptase cavities found similar to TNF-α cavities

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

HIV-RT inhibitora HIV1-RT PDB entry TNF-α PDB entry ProCare score Rank
NNI (Q27097507) 2VG7 6OOZ 0.810 1
EFZ (Efavirenz) 1FKO 6OOZ 0.773 2
NVP (Nevirapine) 1LWC 6OOZ 0.737 3
TNK (TNK-651) 1S1V 6OOZ 0.731 4
NVP (Nevirapine) 2HNY 6OOZ 0.729 5
 
SPP (Delavirdine)b 1KLM 6OOZ 0.484 408
  1. aPDB chemical component identifier (Name in brackets)
  2. bAfter manual fragmentation, a higher ProCare score (0.599) was obtained for the subpocket of delavirdine’s fragment #2 (Additional file 1: Fig. S5) against 6OOY pocket (Additional file 1: Table S3)