6GBW
Thrombin in complex with MI2100 ((S)-N-(2-(aminomethyl)-5-chlorobenzyl)-1-((benzylsulfonyl)-L-arginyl)pyrrolidine-2-carboxamide)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (L) | Prothrombin | polymer | 36 | 4096.5 | 1 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (Human) | Coagulation factor II |
| 2 | B (H) | Prothrombin | polymer | 259 | 29780.2 | 1 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (Human) | Coagulation factor II |
| 3 | C (I) | Hirudin variant-2 | polymer | 12 | 1548.6 | 1 | UniProt (P09945) | Hirudo medicinalis | |
| 4 | D (H) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 5 | E, F (H) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 6 | G, H (H) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 7 | I (H) | (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide | non-polymer | 578.1 | 1 | Chemie (EU5) | |||
| 8 | J, K, L (L, H, I) | water | water | 18.0 | 239 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 35425.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1001.6 | |
| All* | Total formula weight | 36426.9 |
