DrugDevCovid19

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

nsp16

Methyltransferase that mediates mRNA cap 2'-O-ribose methylation to the 5'-cap structure of viral mRNAs. N7-methyl guanosine cap is a prerequisite for binding of nsp16. Therefore plays an essential role in viral mRNAs cap methylation which is essential to evade immune system. [Uniprot]

Pockets

PPI surface (nsp16:nsp10)

Receptor: 6W4H-A

Pocket Residues:

Chain A: T6833 L6834 P6835 K6836 G6837 I6838 M6839 M6840 N6841 V6842 A6843 K6844 Y6845 T6846 L6848 Q6850 N6853 H6867 G6869 A6870 G6871 S6872 D6873 K6874 G6875 V6876 A6877 P6878 G6879 T6880 A6881 V6882 R6884 Q6885 W6886 L6887 P6888 T6889 G6890 T6891 L6893 D6895 D6897 L6898 N6899 D6900 F6901 V6902 S6903 D6904 A6905 D6906 S6907 T6908 I6910 D6928 F7003 L7042 F7043 D7044 M7045 S7046 K7047 F7048 P7049 K7051

SAM binding site

Receptor: 6W4H-A

Pocket Residues:

Chain A: L6820 E6821 C6823 D6824 L6825 Y6828 G6829 D6830 S6831 A6832 I6838 M6840 N6841 A6843 K6844 Y6845 T6846 L6848 C6849 L6852 I6866 H6867 F6868 G6869 A6870 G6871 S6872 D6873 K6874 G6875 P6878 G6879 T6880 L6883 S6896 D6897 L6898 N6899 D6900 F6901 T6908 G6911 D6912 C6913 A6914 V6916 I6926 S6927 D6928 M6929 Y6930 D6931 P6932 K6933 T6934 K6935 N6941 K6944 E6945 G6946 F6947 F6948 Y6950 I6951 V6965 A6966 I6967 K6968 T6970 E6971 H6972 S6973 F6991 V6992 T6993 V6995 N6996 S6998 S6999 S7000 E7001 A7002 F7003 I7005 I7027 F7028 L7037 L7042