3SOS
Benzothiazinone inhibitor in complex with FXIa
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Coagulation factor XI | polymer | 238 | 26856.5 | 1 | UniProt (P03951) Pfam (PF00089) | Homo sapiens (human) | FXI, Plasma thromboplastin antecedent, PTA, Coagulation factor XIa heavy chain, Coagulation factor XIa light chain |
| 2 | B (A) | CITRIC ACID | non-polymer | 192.1 | 1 | Chemie (CIT) | |||
| 3 | C (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 4 | D (A) | N-[(2S)-1-({2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethyl}amino)-1-oxo-3-phenylpropan-2-yl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxamide | non-polymer | 562.0 | 1 | BIRD (PRD_001115) Chemie (O61) | |||
| 5 | E (A) | water | water | 18.0 | 82 | Chemie (HOH) |
Sequence modifications
A: 388 - 625 (UniProt: P03951)
| PDB | External Database | Details |
|---|---|---|
| Ser 500 | Cys 500 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26856.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 876.3 | |
| All* | Total formula weight | 27732.8 |
