6YI7
Structure of cathepsin B1 from Schistosoma mansoni (SmCB1) in complex with an azanitrile inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Cathepsin B-like peptidase (C01 family) | polymer | 254 | 28507.3 | 1 | UniProt (Q8MNY2) Pfam (PF00112) In PDB | Schistosoma mansoni | Cathepsin B1 isotype 1 |
| 2 | A | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 3 | A | 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea | non-polymer | 333.4 | 1 | Chemie (ORW) | |||
| 4 | water | water | 18.0 | 403 | Chemie (HOH) |
Sequence modifications
A: 70 - 323 (UniProt: Q8MNY2)
| PDB | External Database | Details |
|---|---|---|
| Ala 168 | Thr 185 | engineered mutation |
| Ala 283 | Thr 300 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28507.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 451.5 | |
| All* | Total formula weight | 28958.8 |
