6WXC
Crystal Structure of NSP15 Endoribonuclease from SARS CoV-2 in the Complex with potential repurposing drug Tipiracil
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue CMU A 401 |
| Chain | Residue |
| A | GLN245 |
| A | HOH680 |
| A | HIS250 |
| A | LYS290 |
| A | VAL292 |
| A | CYS293 |
| A | SER294 |
| A | TYR343 |
| A | LYS345 |
| A | PO4402 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue PO4 A 402 |
| Chain | Residue |
| A | HIS235 |
| A | GLY247 |
| A | GLY248 |
| A | HIS250 |
| A | LYS290 |
| A | THR341 |
| A | CMU401 |
| A | HOH538 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | PHE44 |
| A | GLU45 |
| A | HOH505 |
| A | HOH507 |
| A | HOH561 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | GLU4 |
| A | PRO24 |
| A | VAL25 |
| B | ASN0 |
| B | ASN53 |
| B | GLU57 |
| B | CYS103 |
| B | SER104 |
| B | MET105 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | ASN0 |
| A | ASN53 |
| A | GLU57 |
| A | CYS103 |
| A | SER104 |
| A | MET105 |
| B | GLU4 |
| B | PRO24 |
| B | VAL25 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | VAL39 |
| A | VAL78 |
| A | ASP79 |
| A | ALA95 |
| A | HIS96 |
| A | ILE97 |
| A | HOH591 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | GLY170 |
| A | GLU171 |
| A | VAL173 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | ASN75 |
| A | LEU76 |
| A | LYS181 |
| A | TYR325 |
| A | HOH506 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue FMT A 409 |
| Chain | Residue |
| A | HIS243 |
| A | SER244 |
| A | HOH728 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 410 |
| Chain | Residue |
| A | LEU312 |
| A | SER313 |
| A | VAL314 |
| A | VAL315 |
| A | LYS335 |
| A | ASP336 |
| A | GLY337 |
| site_id | AD2 |
| Number of Residues | 10 |
| Details | binding site for residue CMU B 401 |
| Chain | Residue |
| B | GLN245 |
| B | HIS250 |
| B | LYS290 |
| B | VAL292 |
| B | CYS293 |
| B | SER294 |
| B | TYR343 |
| B | LYS345 |
| B | PO4402 |
| B | HOH684 |
| site_id | AD3 |
| Number of Residues | 8 |
| Details | binding site for residue PO4 B 402 |
| Chain | Residue |
| B | GLY247 |
| B | GLY248 |
| B | HIS250 |
| B | LYS290 |
| B | THR341 |
| B | CMU401 |
| B | HOH556 |
| B | HOH576 |
| site_id | AD4 |
| Number of Residues | 10 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| A | LYS320 |
| A | VAL321 |
| A | THR322 |
| A | GLU327 |
| B | SER148 |
| B | VAL149 |
| B | LYS150 |
| B | GLY151 |
| B | LEU152 |
| B | HOH638 |
| site_id | AD5 |
| Number of Residues | 3 |
| Details | binding site for residue FMT B 404 |
| Chain | Residue |
| B | VAL156 |
| B | GLU192 |
| B | THR193 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue FMT B 405 |
| Chain | Residue |
| B | HOH582 |
| B | THR145 |
| B | GLY147 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue FMT B 406 |
| Chain | Residue |
| A | PRO191 |
| A | GLU327 |
| B | SER148 |
| B | HOH569 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | PHE44 |
| B | GLU45 |
| B | LYS47 |
| B | HOH654 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 120 |
| Details | Domain: {"description":"Nsp15 N-terminal oligomerization","evidences":[{"source":"PROSITE-ProRule","id":"PRU01305","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 250 |
| Details | Domain: {"description":"AV-Nsp11N/CoV-Nsp15M","evidences":[{"source":"PROSITE-ProRule","id":"PRU01306","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 278 |
| Details | Domain: {"description":"NendoU","evidences":[{"source":"PROSITE-ProRule","id":"PRU01303","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor; for uridylate-specific endoribonuclease nsp15 activity","evidences":[{"source":"PubMed","id":"33504779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33564093","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor; for uridylate-specific endoribonuclease nsp15 activity","evidences":[{"source":"PubMed","id":"33504779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33564093","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Active site: {"description":"For uridylate-specific endoribonuclease nsp15 activity","evidences":[{"source":"PubMed","id":"33504779","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"33504779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33564093","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"33564093","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Site: {"description":"Cleavage; by 3CL-PRO","evidences":[{"source":"UniProtKB","id":"P0C6V3","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 2 |
| Details | Site: {"description":"Transition state stabilizer","evidences":[{"source":"PubMed","id":"33504779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33564093","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 2 |
| Details | Site: {"description":"Uracil recognition site","evidences":[{"source":"PubMed","id":"33504779","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33564093","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
