3Q00
Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor
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 | 23418.4 | 1 | UniProt (P00760) Pfam (PF00089) | Bos taurus (bovine) | Beta-trypsin, Alpha-trypsin chain 1, Alpha-trypsin chain 2 |
| 2 | B (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 3 | C (A) | N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide | non-polymer | 516.6 | 1 | BIRD (PRD_001008) Chemie (PMJ) | |||
| 4 | D, E (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | F (A) | 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL | non-polymer | 1221.5 | 1 | Chemie (PEU) | |||
| 6 | G (A) | water | water | 18.0 | 327 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P00760)
| PDB | External Database | Details |
|---|---|---|
| Glu 97 | Asn 102 | engineered mutation |
| Tyr 99 | Leu 104 | engineered mutation |
| Ser 172 | Tyr 175 | engineered mutation |
| Ser 173 | Pro 176 | engineered mutation |
| Phe 174 | Gly 177 | engineered mutation |
| Ile 175 | Gln 178 | engineered mutation |
| Ala 190 | Ser 195 | engineered mutation |
| Glu 217 | Ser 218 | engineered mutation |
| Ile 227 | Val 228 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23418.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1970.3 | |
| All* | Total formula weight | 25388.7 |
