9H79
Crystal structure of Thrombin in complex with a Chlorothiophene-based inhibitor, CP2, discovered by a novel rapid nanoscale library screening.
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E, G (A, C, E, G) | Thrombin light chain | polymer | 49 | 5641.2 | 4 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (human) | |
| 2 | B, D, F, H (B, D, F, H) | Prothrombin | polymer | 259 | 29780.2 | 4 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (human) | Coagulation factor II |
| 3 | I, L, N, Q (B, D, F, H) | ~{N}-[(3~{S})-4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropylamino]-3-[2-(3-chlorophenyl)ethanoylamino]-4-oxidanylidene-butyl]-5-chloranyl-thiophene-2-carboxamide | non-polymer | 545.5 | 4 | Chemie (A1ITQ) | |||
| 4 | J, M, O (B, D, F) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 5 | K, P, R (B, F, H) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
| 6 | S, T, U, V (B, D, F, H) | water | water | 18.0 | 32 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 141685.6 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2914.6 | |
| All* | Total formula weight | 144600.2 |
