5RGI
PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 8 |
Details | binding site for residue DMS A 401 |
Chain | Residue |
A | GLN74 |
A | LEU75 |
A | ARG76 |
A | PHE223 |
A | THR224 |
A | ASP263 |
A | HOH523 |
A | HOH602 |
site_id | AC2 |
Number of Residues | 5 |
Details | binding site for residue DMS A 402 |
Chain | Residue |
A | PHE8 |
A | SER123 |
A | GLN127 |
A | ARG298 |
A | MET6 |
site_id | AC3 |
Number of Residues | 4 |
Details | binding site for residue DMS A 403 |
Chain | Residue |
A | GLY15 |
A | MET17 |
A | LYS97 |
A | HOH656 |
site_id | AC4 |
Number of Residues | 12 |
Details | binding site for residue U0P A 404 |
Chain | Residue |
A | THR26 |
A | PHE140 |
A | LEU141 |
A | ASN142 |
A | GLY143 |
A | SER144 |
A | CYS145 |
A | HIS163 |
A | HIS164 |
A | GLU166 |
A | HOH529 |
A | HOH683 |
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 |