1Y5U
Dianhydrosugar-based benzamidine, factor Xa specific inhibitor in complex with bovine trypsin mutant
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (T) | Trypsin, cationic | polymer | 223 | 23389.3 | 1 | UniProt (P00760) Pfam (PF00089) | Bos taurus (bovine) | Beta-trypsin |
| 2 | B (T) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 3 | C, D (T) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E (T) | 2-O-{3-[AMINO(IMINO)METHYL]PHENYL}-5-O-{4-[AMINO(IMINO)METHYL]PHENYL}-1,4:3,6-DIANHYDRO-D-GLUCITOL | non-polymer | 382.4 | 1 | Chemie (TL4) | |||
| 5 | F (T) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 6 | G (T) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | H (T) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 8 | I (T) | water | water | 18.0 | 227 | Chemie (HOH) |
Sequence modifications
T: 16 - 245 (UniProt: P00760)
| PDB | External Database | Details |
|---|---|---|
| Glu 97 | Asn 99 | engineered mutation |
| Tyr 99 | Leu 101 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23389.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 881.9 | |
| All* | Total formula weight | 24271.2 |
