8TQS
Complex of human thrombin (S195A) bound to a bivalent inhibitor comprised of DNA Aptamer HD22 conjugated to Dabigatran with a linker.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (D) | DNA (30-MER) | polymer | 30 | 9416.0 | 1 | Homo sapiens | ||
| 2 | B (H) | Thrombin heavy chain | polymer | 259 | 29764.2 | 1 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (human) | |
| 3 | C (L) | Prothrombin | polymer | 41 | 4822.4 | 1 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (human) | |
| 4 | D (D) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E (H) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | F (H) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 1 | Chemie (MES) | |||
| 7 | G (H) | N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine | non-polymer | 471.5 | 1 | Chemie (4CC) | |||
| 8 | H (H) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 9 | I, J (H, L) | water | water | 18.0 | 14 | Chemie (HOH) |
Sequence modifications
H: 16 - 247 (UniProt: P00734)
| PDB | External Database | Details |
|---|---|---|
| Ala 195 | Ser 568 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 44002.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 935.3 | |
| All* | Total formula weight | 44937.9 |
