2WYG
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 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) | |
| 2 | B (B) | FACTOR X LIGHT CHAIN | polymer | 134 | 15210.8 | 1 | UniProt (P00742) Pfam (PF00594) Pfam (PF00008) Pfam (PF14670) | HOMO SAPIENS (HUMAN) | |
| 3 | C (A) | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE | non-polymer | 472.0 | 1 | Chemie (461) | |||
| 4 | D, E (A, B) | water | water | 18.0 | 210 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43761.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 472.0 | |
| All* | Total formula weight | 44233.4 |
