8PI3
Cathepsin S Y132D mutant in complex with NNPI-C10 inhibitor
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cathepsin S | polymer | 228 | 25345.4 | 1 | UniProt (P25774) Pfam (PF00112) | Homo sapiens (human) | |
| 2 | B (B) | NNPI-C10 inhibitor | polymer | 11 | 1210.5 | 1 | synthetic construct | ||
| 3 | C, D, E, M, V (A, B) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 4 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | G, H, O, R, S (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 6 | I, J, K, L (A) | CADMIUM ION | non-polymer | 112.4 | 4 | Chemie (CD) | |||
| 7 | N, P (A) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 8 | Q, T, U (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 9 | W, X (A, B) | water | water | 18.0 | 65 | Chemie (HOH) |
Sequence modifications
A: 113 - 331 (UniProt: P25774)
| PDB | External Database | Details |
|---|---|---|
| Asp 132 | Tyr 132 | engineered mutation |
| Gly 332 | - | expression tag |
| Thr 333 | - | expression tag |
| Lys 334 | - | expression tag |
| His 335 | - | expression tag |
| His 336 | - | expression tag |
| His 337 | - | expression tag |
| His 338 | - | expression tag |
| His 339 | - | expression tag |
| His 340 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 26555.9 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 1465.8 | |
| All* | Total formula weight | 28021.7 |
