1C4U
SELECTIVE NON ELECTROPHILIC THROMBIN INHIBITORS WITH CYCLOHEXYL MOIETIES.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (1) | thrombin | polymer | 36 | 4096.5 | 1 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (human) | Coagulation factor II |
| 2 | B (2) | thrombin | polymer | 259 | 29780.2 | 1 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (human) | Coagulation factor II |
| 3 | C (3) | PROTEIN (HIRUGEN) | polymer | 14 | 1652.7 | 1 | UniProt (P28504) | ||
| 4 | D (2) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E (2) | 2-[2-(4-BROMO-BENZENESULFONYL)-ETHYL]-1-3-DIOXO-2,3,5,8-TETRAHYDRO-1H-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-5-CARBOXYLIC ACID(4-CARBAMIMIDOYL-CYCLOHEXYLMETHYL)-AMIDE | non-polymer | 581.5 | 1 | Chemie (IH1) | |||
| 6 | F, G, H (1, 2, 3) | water | water | 18.0 | 95 | Chemie (HOH) |
Sequence modifications
3: 559 - 567 (UniProt: P28504)
| PDB | External Database | Details |
|---|---|---|
| Ala 554 | - | insertion |
| Cys 555 | - | insertion |
| Glu 556 | - | insertion |
| Asn 557 | - | insertion |
| Glu 558 | - | insertion |
| Gly 562 | Glu 58 | conflict |
| Gly 565 | Glu 61 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 35529.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 604.5 | |
| All* | Total formula weight | 36133.9 |
