2FYE
Mutant Human Cathepsin S with irreversible inhibitor CRA-14013
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 preproprotein | polymer | 217 | 24019.1 | 1 | UniProt (P25774) Pfam (PF00112) | Homo sapiens (human) | |
| 2 | B (A) | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE | non-polymer | 662.8 | 1 | Chemie (BCQ) | |||
| 3 | C (A) | water | water | 18.0 | 78 | Chemie (HOH) |
Sequence modifications
A: 1 - 211 (UniProt: P25774)
| PDB | External Database | Details |
|---|---|---|
| Lys 57 | Glu 173 | variant |
| Ala 100 | Lys 218 | variant |
| Arg 108 | Ser 225 | engineered mutation |
| Lys 184 | Glu 307 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24019.1 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 662.8 | |
| All* | Total formula weight | 24681.9 |
