8C77
Human cathepsin L after reaction with the thiocarbazate inhibitor CID 16725315
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Cathepsin L | polymer | 220 | 24161.7 | 4 | UniProt (P07711) Pfam (PF00112) In PDB | Homo sapiens (human) | |
| 2 | A, B, C, D | ~{tert}-butyl ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(2-methanoylhydrazinyl)-1-oxidanylidene-propan-2-yl]carbamate | non-polymer | 346.4 | 4 | Chemie (TXH) | |||
| 3 | D, A, B, C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 4 | D, A, B, C | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 5 | Chemie (PG4) | |||
| 5 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) | |||
| 6 | D, B, C | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 7 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 8 | D | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 9 | water | water | 18.0 | 591 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 220 (UniProt: P07711)
| PDB | External Database | Details |
|---|---|---|
| Ala 110 | Thr 223 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 96646.7 | |
| Non-Polymers* | Number of molecules | 26 |
| Total formula weight | 3693.3 | |
| All* | Total formula weight | 100340.0 |
