5GP1
Crystal structure of ZIKV NS5 Methyltransferase in complex with GTP and SAH
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004482 | molecular_function | mRNA 5'-cap (guanine-N7-)-methyltransferase activity |
| A | 0004483 | molecular_function | mRNA (nucleoside-2'-O-)-methyltransferase activity |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0032259 | biological_process | methylation |
| B | 0004482 | molecular_function | mRNA 5'-cap (guanine-N7-)-methyltransferase activity |
| B | 0004483 | molecular_function | mRNA (nucleoside-2'-O-)-methyltransferase activity |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0032259 | biological_process | methylation |
| C | 0004482 | molecular_function | mRNA 5'-cap (guanine-N7-)-methyltransferase activity |
| C | 0004483 | molecular_function | mRNA (nucleoside-2'-O-)-methyltransferase activity |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0032259 | biological_process | methylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 301 |
| Chain | Residue |
| A | LYS29 |
| A | GLU34 |
| A | ARG57 |
| A | ARG213 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | ARG84 |
| A | SO4305 |
| A | ARG37 |
| A | ARG41 |
| A | LEU44 |
| A | VAL55 |
| A | ARG57 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 303 |
| Chain | Residue |
| A | GLU155 |
| A | GLU158 |
| A | LEU206 |
| A | SER227 |
| A | SER232 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 304 |
| Chain | Residue |
| A | ARG160 |
| A | LYS252 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 305 |
| Chain | Residue |
| A | ARG84 |
| A | GLU111 |
| A | SO4302 |
| site_id | AC6 |
| Number of Residues | 11 |
| Details | binding site for residue GTA A 306 |
| Chain | Residue |
| A | LYS13 |
| A | LEU16 |
| A | ASN17 |
| A | MET19 |
| A | PHE24 |
| A | LYS28 |
| A | SER151 |
| A | SER152 |
| A | SER215 |
| A | HOH413 |
| A | HOH418 |
| site_id | AC7 |
| Number of Residues | 16 |
| Details | binding site for residue SAH A 307 |
| Chain | Residue |
| A | SER56 |
| A | GLY58 |
| A | ASP79 |
| A | GLY81 |
| A | CYS82 |
| A | GLY83 |
| A | GLY86 |
| A | TRP87 |
| A | THR104 |
| A | HIS110 |
| A | VAL130 |
| A | ASP131 |
| A | VAL132 |
| A | PHE133 |
| A | ASP146 |
| A | ILE147 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 301 |
| Chain | Residue |
| B | ARG37 |
| B | ARG41 |
| B | ARG57 |
| B | ARG84 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 302 |
| Chain | Residue |
| B | LYS29 |
| B | ARG41 |
| B | ARG213 |
| site_id | AD1 |
| Number of Residues | 11 |
| Details | binding site for residue GTA B 303 |
| Chain | Residue |
| B | LYS13 |
| B | LEU16 |
| B | ASN17 |
| B | MET19 |
| B | PHE24 |
| B | LYS28 |
| B | SER150 |
| B | SER151 |
| B | SER152 |
| B | SER215 |
| B | THR216 |
| site_id | AD2 |
| Number of Residues | 18 |
| Details | binding site for residue SAH B 304 |
| Chain | Residue |
| B | SER56 |
| B | GLY58 |
| B | GLY81 |
| B | CYS82 |
| B | GLY83 |
| B | ARG84 |
| B | GLY85 |
| B | GLY86 |
| B | TRP87 |
| B | THR104 |
| B | LYS105 |
| B | HIS110 |
| B | GLU111 |
| B | VAL130 |
| B | ASP131 |
| B | VAL132 |
| B | PHE133 |
| B | ASP146 |
| site_id | AD3 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 301 |
| Chain | Residue |
| C | ARG37 |
| C | ARG57 |
| C | ARG84 |
| site_id | AD4 |
| Number of Residues | 2 |
| Details | binding site for residue NI C 302 |
| Chain | Residue |
| C | HIS110 |
| C | GLU111 |
| site_id | AD5 |
| Number of Residues | 11 |
| Details | binding site for residue GTA C 303 |
| Chain | Residue |
| C | THR216 |
| C | LYS13 |
| C | LEU16 |
| C | ASN17 |
| C | MET19 |
| C | PHE24 |
| C | LYS28 |
| C | SER150 |
| C | SER151 |
| C | SER152 |
| C | SER215 |
| site_id | AD6 |
| Number of Residues | 17 |
| Details | binding site for residue SAH C 304 |
| Chain | Residue |
| C | SER56 |
| C | GLY58 |
| C | GLY81 |
| C | CYS82 |
| C | GLY83 |
| C | GLY85 |
| C | GLY86 |
| C | THR104 |
| C | LYS105 |
| C | HIS110 |
| C | GLU111 |
| C | VAL130 |
| C | ASP131 |
| C | VAL132 |
| C | PHE133 |
| C | ASP146 |
| C | ILE147 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | ACT_SITE: For 2'-O-MTase activity => ECO:0000250|UniProtKB:Q6YMS4 |
| Chain | Residue | Details |
| A | LYS61 | |
| C | ASP146 | |
| C | LYS182 | |
| C | GLU218 | |
| A | ASP146 | |
| A | LYS182 | |
| A | GLU218 | |
| B | LYS61 | |
| B | ASP146 | |
| B | LYS182 | |
| B | GLU218 | |
| C | LYS61 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:27866982 |
| Chain | Residue | Details |
| A | LYS13 | |
| A | GLU149 | |
| A | ARG213 | |
| B | LYS13 | |
| B | GLU149 | |
| B | ARG213 | |
| C | LYS13 | |
| C | GLU149 | |
| C | ARG213 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00924, ECO:0000269|PubMed:27866982 |
| Chain | Residue | Details |
| A | SER56 | |
| A | THR104 | |
| B | SER56 | |
| B | THR104 | |
| C | SER56 | |
| C | THR104 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 15 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00924, ECO:0000269|PubMed:27633330, ECO:0000269|PubMed:27866982, ECO:0000269|PubMed:28031359 |
| Chain | Residue | Details |
| A | GLY86 | |
| B | VAL132 | |
| C | GLY86 | |
| C | TRP87 | |
| C | LYS105 | |
| C | ASP131 | |
| C | VAL132 | |
| A | TRP87 | |
| A | LYS105 | |
| A | ASP131 | |
| A | VAL132 | |
| B | GLY86 | |
| B | TRP87 | |
| B | LYS105 | |
| B | ASP131 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:27633330, ECO:0000269|PubMed:27866982, ECO:0000269|PubMed:28031359 |
| Chain | Residue | Details |
| A | HIS110 | |
| A | GLU111 | |
| A | ASP146 | |
| B | HIS110 | |
| B | GLU111 | |
| B | ASP146 | |
| C | HIS110 | |
| C | GLU111 | |
| C | ASP146 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00924 |
| Chain | Residue | Details |
| A | ILE147 | |
| A | TYR220 | |
| B | ILE147 | |
| B | TYR220 | |
| C | ILE147 | |
| C | TYR220 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 21 |
| Details | SITE: mRNA cap binding => ECO:0000255|PROSITE-ProRule:PRU00924 |
| Chain | Residue | Details |
| A | LYS13 | |
| B | PHE24 | |
| B | LYS28 | |
| B | SER150 | |
| B | ARG213 | |
| B | SER215 | |
| C | LYS13 | |
| C | ASN17 | |
| C | PHE24 | |
| C | LYS28 | |
| C | SER150 | |
| A | ASN17 | |
| C | ARG213 | |
| C | SER215 | |
| A | PHE24 | |
| A | LYS28 | |
| A | SER150 | |
| A | ARG213 | |
| A | SER215 | |
| B | LYS13 | |
| B | ASN17 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 6 |
| Details | SITE: mRNA cap binding; via carbonyl oxygen => ECO:0000255|PROSITE-ProRule:PRU00924 |
| Chain | Residue | Details |
| A | LEU16 | |
| A | MET19 | |
| B | LEU16 | |
| B | MET19 | |
| C | LEU16 | |
| C | MET19 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 9 |
| Details | SITE: Essential for 2'-O-methyltransferase activity => ECO:0000255|PROSITE-ProRule:PRU00924 |
| Chain | Residue | Details |
| A | LYS61 | |
| A | LYS182 | |
| A | GLU218 | |
| B | LYS61 | |
| B | LYS182 | |
| B | GLU218 | |
| C | LYS61 | |
| C | LYS182 | |
| C | GLU218 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 3 |
| Details | SITE: Essential for 2'-O-methyltransferase and N-7 methyltransferase activity => ECO:0000255|PROSITE-ProRule:PRU00924 |
| Chain | Residue | Details |
| A | ASP146 | |
| B | ASP146 | |
| C | ASP146 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 3 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P03314 |
| Chain | Residue | Details |
| A | SER56 | |
| B | SER56 | |
| C | SER56 |
