5OGR
Structure of cathepsin B1 from Schistosoma mansoni in complex with WRR286 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 | 3-[[N-[4-METHYL-PIPERAZINYL]CARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID BENZYLOXY-AMIDE | non-polymer | 621.8 | 3 | Chemie (VS4) | |||
| 3 | A, B, C | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 4 | water | water | 18.0 | 873 | 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 | 6 |
| Total formula weight | 2042.5 | |
| All* | Total formula weight | 87564.3 |
