2BVR
Human thrombin complexed with fragment-based small molecules occupying the S1 pocket
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (H) | ALPHA THROMBIN | polymer | 252 | 29050.4 | 1 | UniProt (P00734) Pfam (PF00089) | HOMO SAPIENS (HUMAN) | COAGULATION FACTOR II |
| 2 | B (I) | HIRUDIN VARIANT-2 | polymer | 11 | 1378.4 | 1 | UniProt (P09945) | HIRUDO MEDICINALIS | |
| 3 | C (L) | ALPHA THROMBIN | polymer | 36 | 4096.5 | 1 | UniProt (P00734) Pfam (PF09396) | HOMO SAPIENS (HUMAN) | COAGULATION FACTOR II |
| 4 | D (H) | 2-[2-(4-CHLORO-PHENYLSULFANYL)-ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-PROPIONAMIDE | non-polymer | 405.9 | 1 | Chemie (4CP) | |||
| 5 | E, F, G (H, I, L) | water | water | 18.0 | 454 | Chemie (HOH) |
Sequence modifications
I: 9 - 19 (UniProt: P09945)
| PDB | External Database | Details |
|---|---|---|
| Ala 19 | Leu 71 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 34525.3 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 405.9 | |
| All* | Total formula weight | 34931.3 |
