5OGQ
Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR391 inhibitor
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 | Cathepsin B-like peptidase (C01 family) | polymer | 254 | 28507.3 | 3 | UniProt (Q8MNY2) Pfam (PF00112) In PDB | Schistosoma mansoni (Blood fluke) | Cathepsin B1 isotype 1 |
| 2 | A, B, C | ethyl 1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanylidene-1-[[(3~{S})-1-phenyl-5-pyridin-2-ylsulfonyl-pentan-3-yl]amino]propan-2-yl]carbamoyl]piperidine-4-carboxylate | non-polymer | 650.8 | 3 | Chemie (9U8) | |||
| 3 | B | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 4 | water | water | 18.0 | 442 | Chemie (HOH) |
Sequence modifications
A, B, C: 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 | 3 |
| Total formula weight | 85521.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 2011.4 | |
| All* | Total formula weight | 87533.2 |
