4LOY
Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (H) | Thrombin heavy chain | polymer | 257 | 29594.1 | 1 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (human) | Thrombin heavy chain |
| 2 | B (I) | Hirudin variant-2 | polymer | 10 | 1363.4 | 1 | UniProt (P09945) | Hirudo medicinalis (Medicinal leech) | |
| 3 | C (L) | Thrombin light chain | polymer | 27 | 3188.6 | 1 | UniProt (P00734) Pfam (PF09396) | Homo sapiens | Thrombin light chain |
| 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) | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide | non-polymer | 620.5 | 1 | Chemie (6XS) | |||
| 7 | H, I, J (H, I, L) | water | water | 18.0 | 294 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 34146.1 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 887.7 | |
| All* | Total formula weight | 35033.8 |
