3UPE
Bovine trypsin variant X(triplePhe227) 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 | Cationic trypsin | polymer | 223 | 23424.4 | 1 | UniProt (P00760) Pfam (PF00089) In PDB | Bos taurus (bovine) | Beta-trypsin, Alpha-trypsin chain 1, Alpha-trypsin chain 2 |
2 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
3 | A | 1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-6-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-(propan-2-yl)-1H-indole-4-carboxylic acid | non-polymer | 525.6 | 1 | Chemie (0CA) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | water | water | 18.0 | 379 | 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 |
Phe 227 | Val 228 | engineered mutation |
Leu 231 | Val 232 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 23424.4 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 849.9 | |
All* | Total formula weight | 24274.3 |