4AB9
Fragments bound to bovine trypsin for the SAMPL challenge
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | CATIONIC TRYPSIN | polymer | 223 | 23324.3 | 1 | UniProt (P00760) Pfam (PF00089) | BOS TAURUS (CATTLE) | BETA-TRYPSIN, ALPHA-TRYPSIN CHAIN 1, ALPHA-TRYPSIN CHAIN 2 |
| 2 | B (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | C (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | D, E, F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 5 | G (A) | 1-(2,3-dihydro-1-benzofuran-5-yl)methanamine | non-polymer | 149.2 | 1 | Chemie (VXQ) | |||
| 6 | H (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 7 | I (A) | water | water | 18.0 | 418 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23324.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 549.7 | |
| All* | Total formula weight | 23874.0 |
