2Y82
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine 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) | COAGULATION FACTOR X, STUART FACTOR, STUART-PROWER FACTOR |
| 2 | B (B) | FACTOR X LIGHT CHAIN | polymer | 134 | 15210.8 | 1 | UniProt (P00742) Pfam (PF00594) Pfam (PF00008) Pfam (PF14670) | HOMO SAPIENS (HUMAN) | COAGULATION FACTOR X, STUART FACTOR, STUART-PROWER FACTOR |
| 3 | C (A) | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE | non-polymer | 488.0 | 1 | Chemie (930) | |||
| 4 | D (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 5 | E (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | F, G (A, B) | water | water | 18.0 | 183 | 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 | 552.4 | |
| All* | Total formula weight | 44313.7 |
