6YVF
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | binding site for residue A82 A 401 |
| Chain | Residue |
| A | ASN51 |
| A | VAL186 |
| A | ARG188 |
| A | PEG409 |
| A | HOH509 |
| A | ASN63 |
| A | ILE78 |
| A | GLY79 |
| A | HIS80 |
| A | SER81 |
| A | LYS88 |
| A | LYS90 |
| A | PRO184 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 402 |
| Chain | Residue |
| A | ASN95 |
| A | LYS97 |
| A | DMS405 |
| A | HOH576 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue CL A 403 |
| Chain | Residue |
| A | PRO9 |
| A | GLY11 |
| A | LYS12 |
| A | GLU14 |
| A | HOH766 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue DMS A 404 |
| Chain | Residue |
| A | GLN74 |
| A | LEU75 |
| A | ARG76 |
| A | PHE223 |
| A | THR224 |
| A | ASP263 |
| A | HOH583 |
| A | HOH590 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 405 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| A | LYS97 |
| A | CL402 |
| A | HOH569 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 406 |
| Chain | Residue |
| A | PHE140 |
| A | LEU141 |
| A | ASN142 |
| A | HIS163 |
| A | MET165 |
| A | GLU166 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue DMS A 407 |
| Chain | Residue |
| A | TYR101 |
| A | HOH797 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 408 |
| Chain | Residue |
| A | GLY23 |
| A | HIS64 |
| A | ASN65 |
| A | PHE223 |
| A | HOH580 |
| A | HOH681 |
| site_id | AC9 |
| Number of Residues | 12 |
| Details | binding site for residue PEG A 409 |
| Chain | Residue |
| A | LYS61 |
| A | SER62 |
| A | HIS80 |
| A | PRO184 |
| A | A82401 |
| A | HOH502 |
| A | HOH506 |
| A | HOH509 |
| A | HOH538 |
| A | HOH558 |
| A | HOH585 |
| A | HOH669 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 410 |
| Chain | Residue |
| A | ASP33 |
| A | ASP34 |
| A | ASP92 |
| A | HOH575 |
| A | HOH667 |
| A | HOH700 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue CA A 411 |
| Chain | Residue |
| A | LYS100 |
| A | GLU270 |
| A | GLN273 |
| A | ASN274 |
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 |
