8QKB
Crystal structure of human cathepsin L in complex with the vinyl sulfone inhibitor K777
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 (A, B, C, D) | Cathepsin L | polymer | 220 | 24161.7 | 4 | UniProt (P07711) Pfam (PF00112) | Homo sapiens (human) | |
| 2 | CA, E, N, W (D, A, B, C) | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-L-PHENYLALANINAMIDE | non-polymer | 576.7 | 4 | Chemie (D1R) | |||
| 3 | F (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 4 | G, GA, H, I, IA... (A, D, B, C) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 5 | BA, DA, J, L, X (D, A, C) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 5 | Chemie (PEG) | |||
| 6 | AA, EA, M, R, V... (C, D, A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
| 7 | FA, HA, O (D, B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 3 | Chemie (PGE) | |||
| 8 | JA, KA, LA, MA (A, B, C, D) | water | water | 18.0 | 686 | 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 | 31 |
| Total formula weight | 4696.0 | |
| All* | Total formula weight | 101342.7 |
