6XKH
THE 1.28A CRYSTAL STRUCTURE OF 3CL MAINPRO OF SARS-COV-2 WITH OXIDIZED C145 (sulfinic acid cysteine)
Replaces: 6XG2Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 401 |
| Chain | Residue |
| A | THR25 |
| A | HIS41 |
| A | CYS44 |
| A | MET49 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 402 |
| Chain | Residue |
| A | THR226 |
| A | ASN228 |
| A | ASP229 |
| A | HOH502 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue FMT A 403 |
| Chain | Residue |
| A | PRO184 |
| A | PHE185 |
| A | GLY195 |
| A | HOH660 |
| A | ASN133 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue FMT A 404 |
| Chain | Residue |
| A | ASN72 |
| A | THR226 |
| A | LEU227 |
| A | HOH502 |
| A | HOH549 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue FMT A 405 |
| Chain | Residue |
| A | LEU141 |
| A | SER144 |
| A | CSD145 |
| A | HIS163 |
| A | GLU166 |
| A | HOH626 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue FMT A 406 |
| Chain | Residue |
| A | ARG40 |
| A | HOH565 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue ACT A 407 |
| Chain | Residue |
| A | GLY15 |
| A | MET17 |
| A | ALA70 |
| A | HOH581 |
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 |
