7B2J
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue SQ2 A 401 |
| Chain | Residue |
| A | HIS41 |
| A | ASP187 |
| A | GLN189 |
| A | HOH584 |
| A | PHE140 |
| A | LEU141 |
| A | ASN142 |
| A | CYS145 |
| A | HIS163 |
| A | HIS164 |
| A | MET165 |
| A | GLU166 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | binding site for residue PEG A 402 |
| Chain | Residue |
| A | ASN84 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 403 |
| Chain | Residue |
| A | MET6 |
| A | ALA7 |
| A | PHE8 |
| A | SER123 |
| A | GLN127 |
| A | ARG298 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 404 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| A | ALA70 |
| A | LYS97 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue DMS A 405 |
| Chain | Residue |
| A | GLN69 |
| A | GLY71 |
| A | ASN119 |
| A | GLY120 |
| A | SER121 |
| A | HOH503 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue DMS A 406 |
| Chain | Residue |
| A | HIS64 |
| A | ASN65 |
| A | PHE223 |
| A | HOH504 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue DMS A 407 |
| Chain | Residue |
| A | GLN74 |
| A | LEU75 |
| A | ARG76 |
| A | THR224 |
| A | ASP263 |
| A | HOH535 |
| A | HOH617 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| 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_FI2 |
| 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_FI3 |
| 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 |
