2VH0
Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | ACTIVATED FACTOR XA HEAVY CHAIN | polymer | 254 | 28550.6 | 1 | UniProt (P00742) Pfam (PF00089) | HOMO SAPIENS (HUMAN) | STUART FACTOR, STUART-PROWER FACTOR |
| 2 | B (B) | ACTIVATED FACTOR XA LIGHT CHAIN | polymer | 134 | 15210.8 | 1 | UniProt (P00742) Pfam (PF00594) Pfam (PF00008) Pfam (PF14670) | HOMO SAPIENS (HUMAN) | STUART FACTOR, STUART-PROWER FACTOR |
| 3 | C (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E (A) | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide | non-polymer | 526.0 | 1 | Chemie (GSI) | |||
| 6 | F, G (A, B) | water | water | 18.0 | 232 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43761.4 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 590.4 | |
| All* | Total formula weight | 44351.8 |
