7APH
Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin.
This is a non-PDB format compatible entry.
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue RT2 AA 401 |
| Chain | Residue |
| AA | SER1 |
| AA | SER301 |
| AA | DMS406 |
| AA | HOH510 |
| AA | HOH545 |
| AA | HOH649 |
| AA | HOH692 |
| AA | HOH705 |
| AA | HOH775 |
| AA | ASN142 |
| AA | GLU166 |
| AA | PRO252 |
| AA | ALA255 |
| AA | GLN256 |
| AA | VAL297 |
| AA | CYS300 |
| AA | SER301 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue DMS AA 402 |
| Chain | Residue |
| AA | GLN74 |
| AA | LEU75 |
| AA | ARG76 |
| AA | THR224 |
| AA | ASP263 |
| AA | HOH552 |
| AA | HOH636 |
| AA | HOH815 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue CL AA 403 |
| Chain | Residue |
| AA | SER284 |
| AA | SER284 |
| AA | ALA285 |
| AA | ALA285 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS AA 404 |
| Chain | Residue |
| AA | GLY15 |
| AA | MET17 |
| AA | LYS97 |
| AA | HOH526 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue DMS AA 405 |
| Chain | Residue |
| AA | MET6 |
| AA | PHE8 |
| AA | SER123 |
| AA | GLN127 |
| AA | ARG298 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS AA 406 |
| Chain | Residue |
| AA | PHE140 |
| AA | LEU141 |
| AA | HIS163 |
| AA | MET165 |
| AA | GLU166 |
| AA | RT2401 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue DMS AA 407 |
| Chain | Residue |
| AA | TYR101 |
| AA | PHE103 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue CL AA 408 |
| Chain | Residue |
| AA | LYS5 |
| AA | LYS5 |
| AA | HOH590 |
| AA | HOH590 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 305 |
| Details | Domain: {"description":"Peptidase C30","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Active site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Nucleophile; for 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"32198291","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"39223933","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
