4ABA
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, C, D (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 3 | E (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | F, G, H, I (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 5 | J, K (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 6 | L (A) | 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine | non-polymer | 196.3 | 1 | Chemie (SW1) | |||
| 7 | M (A) | water | water | 18.0 | 357 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23324.3 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 929.1 | |
| All* | Total formula weight | 24253.4 |
