3SOS
Benzothiazinone inhibitor in complex with FXIa
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE CIT A 701 |
| Chain | Residue |
| A | GLU398 |
| A | LYS582 |
| A | HOH870 |
| A | TRP399 |
| A | GLN471 |
| A | TYR479 |
| A | ASP513 |
| A | TRP515 |
| A | LYS534 |
| A | HIS556 |
| A | LYS557 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE TRS A 702 |
| Chain | Residue |
| A | ARG396 |
| A | GLY397 |
| A | TRP399 |
| A | PRO400 |
| A | GLN402 |
| A | ILE448 |
| A | SER495 |
| A | LEU532 |
| A | HOH806 |
| site_id | AC3 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE O61 A 703 |
| Chain | Residue |
| A | ARG413 |
| A | HIS414 |
| A | LEU415 |
| A | HIS431 |
| A | TYR521 |
| A | ILE528 |
| A | ASP569 |
| A | ALA570 |
| A | CYS571 |
| A | LYS572 |
| A | GLY573 |
| A | ASP574 |
| A | SER575 |
| A | THR593 |
| A | SER594 |
| A | TRP595 |
| A | GLY596 |
| A | GLY598 |
| A | CYS599 |
| A | GLY606 |
| A | VAL607 |
| A | TYR608 |
Functional Information from PROSITE/UniProt
| site_id | PS00134 |
| Number of Residues | 6 |
| Details | TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC |
| Chain | Residue | Details |
| A | LEU427-CYS432 |
| site_id | PS00135 |
| Number of Residues | 12 |
| Details | TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS |
| Chain | Residue | Details |
| A | ASP569-SER580 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 235 |
| Details | Domain: {"description":"Peptidase S1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00274","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Active site: {"description":"Charge relay system"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) (complex) asparagine","evidences":[{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1998667","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25092234","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
