7LME
SARS-CoV-2 3CLPro in complex with N-[4-[[2-(benzotriazol-1-yl)acetyl]-(3-thienylmethyl)amino]phenyl]cyclopropanecarboxamide
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 17 |
| Details | binding site for residue Y6J A 401 |
| Chain | Residue |
| A | THR24 |
| A | CYS145 |
| A | HIS163 |
| A | MET165 |
| A | GLU166 |
| A | ASP187 |
| A | ARG188 |
| A | GLN189 |
| B | SER1 |
| A | THR25 |
| A | HIS41 |
| A | CYS44 |
| A | SER46 |
| A | MET49 |
| A | PHE140 |
| A | LEU141 |
| A | ASN142 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | binding site for residue Y6J B 401 |
| Chain | Residue |
| B | THR24 |
| B | THR25 |
| B | CYS44 |
| B | SER46 |
| B | PHE140 |
| B | LEU141 |
| B | ASN142 |
| B | CYS145 |
| B | HIS163 |
| B | MET165 |
| B | GLU166 |
| B | ASP187 |
| B | ARG188 |
| B | GLN189 |
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 |
