5S72
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NendoU in complex with BBL029427
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | binding site for residue CIT A 401 |
| Chain | Residue |
| A | HIS234 |
| A | HOH533 |
| A | HOH602 |
| A | HOH674 |
| A | GLN244 |
| A | LEU245 |
| A | GLY246 |
| A | GLY247 |
| A | HIS249 |
| A | LYS289 |
| A | THR340 |
| A | LEU345 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue WUY A 402 |
| Chain | Residue |
| A | VAL38 |
| A | ASP39 |
| A | VAL40 |
| A | THR48 |
| A | LEU49 |
| A | ASP87 |
| A | ARG90 |
| A | ALA92 |
| A | PRO93 |
| A | ILE96 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | binding site for residue CIT B 401 |
| Chain | Residue |
| B | HIS234 |
| B | GLN244 |
| B | LEU245 |
| B | GLY246 |
| B | GLY247 |
| B | HIS249 |
| B | LYS289 |
| B | THR340 |
| B | HOH544 |
| B | HOH609 |
| B | HOH628 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor; for uridylate-specific endoribonuclease nsp15 activity => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093 |
| Chain | Residue | Details |
| A | HIS234 | |
| B | HIS234 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor; for uridylate-specific endoribonuclease nsp15 activity => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093 |
| Chain | Residue | Details |
| A | HIS249 | |
| B | HIS249 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | ACT_SITE: For uridylate-specific endoribonuclease nsp15 activity => ECO:0000269|PubMed:33504779 |
| Chain | Residue | Details |
| A | LYS289 | |
| B | LYS289 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093 |
| Chain | Residue | Details |
| A | LYS289 | |
| B | LYS289 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:33564093 |
| Chain | Residue | Details |
| A | THR340 | |
| B | THR340 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | SITE: Transition state stabilizer => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093 |
| Chain | Residue | Details |
| A | LYS289 | |
| B | LYS289 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | SITE: Uracil recognition site => ECO:0000269|PubMed:33504779, ECO:0000269|PubMed:33564093 |
| Chain | Residue | Details |
| A | SER293 | |
| B | SER293 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | SITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3 |
| Chain | Residue | Details |
| A | GLN346 | |
| B | GLN346 |
