Tracking the relevant researches of CADD drug development against COVID-19


Responsible for the cleavages located at the N-terminus of the replicase polyprotein. Participates together with nsp4 in the assembly of virally-induced cytoplasmic double-membrane vesicles necessary for viral replication (By similarity). Antagonizes innate immune induction of type I interferon by blocking the phosphorylation, dimerization and subsequent nuclear translocation of host IRF3. Prevents also host NF-kappa-B signaling (By similarity). In addition, PL-PRO possesses a deubiquitinating/deISGylating activity and processes both 'Lys-48'- and 'Lys-63'-linked polyubiquitin chains from cellular substrates. Cleaves preferentially ISG15 from substrates in vitro. Can play a role in host ADP-ribosylation by binding ADP-ribose. [Uniprot]


S1/S2 pockets

Receptor: 6W9C-A

Pocket Residues:

Chain A: K92 W93 K94 P96 I104 K105 W106 A107 D108 N109 N110 C111 Y112 L113 A114 T115 L118 L152 G160 E161 L162 E263 T265 Q269 C270 G271 H272 Y273 K274 H275 C284 I285 D286 G287 A288 L289 L290 T291

S3/S4 pockets

Receptor: 7CMD

Pocket Residues:

Chain A: N109 C111 Y112 L113 T115 A116 T119 K157 G160 E161 L162 G163 D164 V165 R166 E167 T168 M169 S170 Y171 Q174 V202 E203 M206 Y207 M208 G209 L211 M243 S245 A246 P247 P248 S262 Y264 T265 G266 N267 Y268 Q269 C270 G271 Y273 H275 P299 T301 D302 F304