Characterization of the NiRAN domain from RNA-dependent RNA polymerase provides insights into a potential therapeutic target against SARS-CoV-2
Fig 2
The active site of CoV-2-RdRp NiRAN domain binds ATP, GTP and UTP and exhibits kinase like motifs.
ATP, GTP and UTP bind at the probable active site of the NiRAN domain with notably low free binding energies. (A) ATP within the active site pocket. (B) GTP within the active site pocket. (C) UTP within the active site pocket (Blue indicates positively charged regions, red indicates negatively charged regions and green indicates neutral regions, grey indicates regions beyond GTP-binding pocket). (A’) ATP forms salt bridge with K73 and H-bonding with D208. (B’) GTP binding reveals salt bridge interaction with K73 and H-bonding with Asp 116. (C’) UTP binding exhibits salt bridge interaction with K73.