1NT1
thrombin in complex with selective macrocyclic inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | thrombin | polymer | 287 | 33080.0 | 1 | UniProt (P00734) Pfam (PF09396) Pfam (PF00089) | Homo sapiens (human) | Coagulation factor II |
| 2 | B (H) | Hirudin | polymer | 11 | 1376.4 | 1 | UniProt (P28504) | ||
| 3 | C (A) | (6R,21AS)-17-CHLORO-6-CYCLOHEXYL-2,3,6,7,10,11,19,20-OCTAHYDRO-1H,5H-PYRROLO[1,2-K][1,4,8,11,14]BENZOXATETRAAZA-CYCLOHEPTADECINE-5,8,12,21(9H,13H,21AH)-TETRONE | non-polymer | 505.0 | 1 | Chemie (T76) | |||
| 4 | D, E (A, H) | water | water | 18.0 | 143 | Chemie (HOH) |
Sequence modifications
H: 355 - 365 (UniProt: P28504)
| PDB | External Database | Details |
|---|---|---|
| Ala 362 | Glu 62 | conflict |
| Ala 365 | Gln 65 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 34456.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 505.0 | |
| All* | Total formula weight | 34961.4 |
