6MRQ
Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin
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 | 237 | 24934.1 | 1 | UniProt (P00760) Pfam (PF00089) | Bos taurus (Bovine) | Beta-trypsin |
| 2 | B (I) | inhibitor from Tityus obscurus scorpion venom (TopI1) | polymer | 32 | 3738.7 | 1 | UniProt (by SIFTS) (A0A6P3CW73) | Tityus | |
| 3 | C (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | D, E, F (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 5 | G, H (A, I) | water | water | 18.0 | 297 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P00760)
| PDB | External Database | Details |
|---|---|---|
| Cys 246 | - | expression tag |
| Asn 247 | - | expression tag |
| Tyr 248 | - | expression tag |
| Val 249 | - | expression tag |
| Ser 250 | - | expression tag |
| Trp 251 | - | expression tag |
| Ile 252 | - | expression tag |
| Lys 253 | - | expression tag |
| Gln 254 | - | expression tag |
| Thr 255 | - | expression tag |
| Ile 256 | - | expression tag |
| Ala 257 | - | expression tag |
| Ser 258 | - | expression tag |
| Asn 259 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 28672.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 328.3 | |
| All* | Total formula weight | 29001.0 |
