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Figure 4 Influence of symmetry mates on the side-chain conformation of Arg442 in the ADP-bound structure of SARS-CoV-2 NSP13. NSP13 is shown in cartoon representation, showing the RecA1 domain (orange) and the RecA2 domain (blue). Bound ADP (cyan) and inorganic phosphate (atom-coloured) are depicted in ball-and-stick format. The symmetry mates are shown in smudge-coloured cartoon format. In chain A, the Arg442 side chain is 9 Å from Phe472 of the symmetry mate, indicated by a yellow dashed line (a). In chain B, the Arg442 side chain forms hydrogen bonds to Thr501 of the symmetry mate, indicated by red dashed lines (b). These interactions were also observed in the unliganded, phosphate-bound and ATP-bound structures of SARS-CoV-2 NSP13. |