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. 2021 Jul 2;50(16):9121–9151. doi: 10.1039/d0cs01065k

Potential targetable sites identified in structurally resolved SARS-CoV-2 proteins.

ID Protein Target PDB Ligand Ref.
1 Nsp1 Nsp1/ribosome 40S interaction interface 6ZLW NA 49
2 Phosphatase ADP-ribose binding site 6W02 ADP-ribose 50
3 PLpro (nsp3) Active site 7JIW PLP_Snyder530 51
4 Mpro (nsp5) Active site 6W63 X77 52
5 Mpro (nsp5) Dimerization interface 5RFA Fragment x1187 53
6 Primase (nsp7) nsp7/nsp8 interaction interface 6XIP NA
7 Nsp9 Peptide binding site 6W9Q NA 54
8 Nsp10 Predicted pocket, not annotated 6ZCT NA 55
9 RdRp (nsp12) NiRAN domain 6XEZ ADP-Mg2+ 56
10 RdRp (nsp12) Active site 7BV1 NA 57
11 RdRp (nsp12) NTP entry site 7CTT NA 57
12 RdRp (nsp12) Nsp12-Nsp7/Nsp8 interaction site 7BV1 NA 58
13 Helicase (nsp13) ATP/ADP binding site 6XEZ NA 56
14 Helicase (nsp13) DNA/RNA binding site 6ZSL NA 59
15 Endoribonuclease (nsp15) Catalytic site 6WXC Tipiracil 60
16 2′-O methyltransferase (nsp16) RNA binding site 6WKS RNA cap 55,61
17 2′-O methyltransferase (nsp16) Active site 6YZ1 Sinefungin 55
18 2′-O methyltransferase (nsp16) Allosteric site 6WKS Adenosine 61
19 Spike (post-fusion) HR2 linker motif 6M3W HR2 motif 62
20 Spike (post-fusion) S2 HR1/HR2 bundle fold 6M3W NA 62
21 Spike (pre-fusion) S2 U-turn loop 6NB6 NA 62
22 ORF3a Predicted pocket, not annotated 6XDC NA 63
23 ORF8 Predicted pocket, not annotated 7JTL NA 64
24 ORF9b Lipid binding site 6Z4U PEG lipid 65
25 Nucleoprotein RNA binding site 6M3M NA 66