7KVL
SARS-CoV-2 Main protease immature form - FMAX Library E01 fragment
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 501 |
| Chain | Residue |
| B | GLY79 |
| B | HIS80 |
| B | SER81 |
| B | LYS90 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | binding site for residue PEG A 502 |
| Chain | Residue |
| A | GLN19 |
| A | LEU67 |
| A | ASN119 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | binding site for residue X4P A 503 |
| Chain | Residue |
| A | LYS269 |
| A | GLN273 |
| A | HOH674 |
| B | ARG40 |
| B | PHE181 |
| B | GLY183 |
| B | PRO184 |
| B | PHE185 |
| B | VAL186 |
| B | ASP187 |
| B | DMS708 |
| A | VAL233 |
| A | TYR237 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 504 |
| Chain | Residue |
| A | SER81 |
| A | LYS88 |
| A | LYS90 |
| A | HOH601 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue PEG A 505 |
| Chain | Residue |
| A | GLU14 |
| A | GLY15 |
| A | ASN95 |
| A | LYS97 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue PEG A 506 |
| Chain | Residue |
| A | PHE223 |
| A | THR224 |
| B | ARG105 |
| B | PHE134 |
| B | DMS708 |
| B | HOH857 |
| B | HOH861 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue PEG A 507 |
| Chain | Residue |
| A | ASN180 |
| A | PHE181 |
| A | GLY183 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue PEG A 508 |
| Chain | Residue |
| A | PRO184 |
| A | ARG188 |
| A | GLN192 |
| A | HOH625 |
| B | TYR101 |
| B | LYS102 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 509 |
| Chain | Residue |
| A | LYS5 |
| A | VAL125 |
| B | ALA7 |
| B | GLN127 |
| site_id | AD1 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 510 |
| Chain | Residue |
| A | ASN84 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 511 |
| Chain | Residue |
| A | GLN19 |
| A | GLN69 |
| A | GLY71 |
| A | ASN119 |
| A | HOH602 |
| site_id | AD3 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 512 |
| Chain | Residue |
| A | MET276 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue DMS A 513 |
| Chain | Residue |
| A | MET6 |
| A | ALA7 |
| A | PHE8 |
| B | SER123 |
| B | HOH867 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 701 |
| Chain | Residue |
| A | ARG131 |
| A | LYS137 |
| B | ARG4 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue SER B 702 |
| Chain | Residue |
| B | VAL297 |
| B | ARG298 |
| B | CYS300 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 703 |
| Chain | Residue |
| B | GLU14 |
| B | GLY15 |
| B | LYS97 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue PEG B 704 |
| Chain | Residue |
| B | MET17 |
| B | GLN19 |
| B | GLN69 |
| B | GLY71 |
| B | GLY120 |
| site_id | AD9 |
| Number of Residues | 3 |
| Details | binding site for residue PEG B 705 |
| Chain | Residue |
| B | TYR239 |
| B | LEU287 |
| B | HOH817 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue DMS B 706 |
| Chain | Residue |
| A | SER123 |
| B | MET6 |
| B | GLN127 |
| B | ARG298 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue DMS B 707 |
| Chain | Residue |
| B | ARG4 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue DMS B 708 |
| Chain | Residue |
| A | PHE223 |
| A | THR224 |
| A | X4P503 |
| A | PEG506 |
| B | PHE181 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| 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_FI2 |
| Number of Residues | 2 |
| 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_FI3 |
| Number of Residues | 6 |
| 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 |
