3SJO
structure of EV71 3C in complex with Rupintrivir (AG7088)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
| B | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| B | 0006508 | biological_process | proteolysis |
| C | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| C | 0006508 | biological_process | proteolysis |
| D | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| D | 0006508 | biological_process | proteolysis |
| E | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| E | 0006508 | biological_process | proteolysis |
| F | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| F | 0006508 | biological_process | proteolysis |
| G | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| G | 0006508 | biological_process | proteolysis |
| H | 0004197 | molecular_function | cysteine-type endopeptidase activity |
| H | 0006508 | biological_process | proteolysis |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE AG7 A 501 |
| Chain | Residue |
| A | ARG39 |
| A | GLY145 |
| A | CYS147 |
| A | HIS161 |
| A | ILE162 |
| A | GLY163 |
| A | GLY164 |
| A | ASN165 |
| A | PHE170 |
| E | GLU65 |
| E | HOH195 |
| A | HIS40 |
| A | GLU71 |
| A | ASN126 |
| A | LEU127 |
| A | SER128 |
| A | LYS130 |
| A | THR142 |
| A | ALA144 |
| site_id | AC2 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE AG7 B 501 |
| Chain | Residue |
| B | ARG39 |
| B | HIS40 |
| B | GLU71 |
| B | ASN126 |
| B | LEU127 |
| B | SER128 |
| B | LYS130 |
| B | THR142 |
| B | LYS143 |
| B | ALA144 |
| B | GLY145 |
| B | CYS147 |
| B | HIS161 |
| B | ILE162 |
| B | GLY163 |
| B | GLY164 |
| B | ASN165 |
| B | PHE170 |
| B | HOH378 |
| B | HOH527 |
| B | HOH681 |
| H | GLU65 |
| H | GLN66 |
| site_id | AC3 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE AG7 C 501 |
| Chain | Residue |
| C | ARG39 |
| C | HIS40 |
| C | GLU71 |
| C | TYR122 |
| C | ASN126 |
| C | LEU127 |
| C | SER128 |
| C | LYS130 |
| C | THR142 |
| C | LYS143 |
| C | ALA144 |
| C | GLY145 |
| C | CYS147 |
| C | HIS161 |
| C | ILE162 |
| C | GLY163 |
| C | GLY164 |
| C | ASN165 |
| C | PHE170 |
| C | HOH230 |
| C | HOH770 |
| site_id | AC4 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE AG7 D 501 |
| Chain | Residue |
| C | HOH225 |
| D | ARG39 |
| D | HIS40 |
| D | GLU71 |
| D | ASN126 |
| D | LEU127 |
| D | SER128 |
| D | LYS130 |
| D | THR142 |
| D | LYS143 |
| D | ALA144 |
| D | GLY145 |
| D | CYS147 |
| D | HIS161 |
| D | ILE162 |
| D | GLY163 |
| D | GLY164 |
| D | ASN165 |
| D | PHE170 |
| site_id | AC5 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE AG7 E 501 |
| Chain | Residue |
| E | ASN165 |
| E | PHE170 |
| E | HOH564 |
| B | GLU65 |
| B | GLY67 |
| E | HIS40 |
| E | GLU71 |
| E | ASN126 |
| E | LEU127 |
| E | SER128 |
| E | LYS130 |
| E | THR142 |
| E | LYS143 |
| E | ALA144 |
| E | GLY145 |
| E | CYS147 |
| E | HIS161 |
| E | ILE162 |
| E | GLY163 |
| E | GLY164 |
| site_id | AC6 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE AG7 F 501 |
| Chain | Residue |
| F | ARG39 |
| F | HIS40 |
| F | GLU71 |
| F | ASN126 |
| F | LEU127 |
| F | SER128 |
| F | LYS130 |
| F | THR142 |
| F | LYS143 |
| F | ALA144 |
| F | GLY145 |
| F | CYS147 |
| F | HIS161 |
| F | ILE162 |
| F | GLY163 |
| F | GLY164 |
| F | ASN165 |
| F | PHE170 |
| F | HOH529 |
| F | HOH542 |
| G | GLU65 |
| site_id | AC7 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE AG7 G 501 |
| Chain | Residue |
| D | GLU65 |
| D | GLN66 |
| G | ARG39 |
| G | HIS40 |
| G | GLU71 |
| G | ASN126 |
| G | LEU127 |
| G | SER128 |
| G | LYS130 |
| G | THR142 |
| G | LYS143 |
| G | ALA144 |
| G | GLY145 |
| G | CYS147 |
| G | HIS161 |
| G | ILE162 |
| G | GLY163 |
| G | GLY164 |
| G | ASN165 |
| G | PHE170 |
| G | HOH247 |
| G | HOH680 |
| site_id | AC8 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE AG7 H 501 |
| Chain | Residue |
| A | GLU65 |
| A | GLN66 |
| H | ARG39 |
| H | HIS40 |
| H | GLU71 |
| H | ASN126 |
| H | LEU127 |
| H | SER128 |
| H | LYS130 |
| H | THR142 |
| H | LYS143 |
| H | ALA144 |
| H | GLY145 |
| H | CYS147 |
| H | HIS161 |
| H | ILE162 |
| H | GLY163 |
| H | GLY164 |
| H | ASN165 |
| H | PHE170 |
| H | HOH430 |
| H | HOH432 |
| H | HOH665 |
