4YES
Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium
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 light chain | polymer | 36 | 4096.5 | 1 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (Human) | Coagulation factor II |
| 2 | B (B) | Thrombin heavy chain | polymer | 259 | 29780.2 | 1 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (Human) | Coagulation factor II |
| 3 | C (H) | Hirudin | polymer | 13 | 1574.6 | 1 | UniProt (P01050) | Hirudo medicinalis | Hirudin-1,Hirudin-I,Lepirudin |
| 4 | D (B) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | E (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | F (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 7 | G (B) | N-[2-(aminomethyl)-5-chlorobenzyl]-1-[(5-methyl-1H-pyrrol-2-yl)carbonyl]-L-prolinamide | non-polymer | 374.9 | 1 | BIRD (PRD_002146) Chemie (45S) | |||
| 8 | H, I, J (A, B, H) | water | water | 18.0 | 231 | Chemie (HOH) |
Sequence modifications
H: 54 - 65 (UniProt: P01050)
| PDB | External Database | Details |
|---|---|---|
| Ace 53 | - | acetylation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 35451.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 712.5 | |
| All* | Total formula weight | 36163.8 |
