8FXQ
The Crystal Sturucture of Rhizopuspepsin with a bound modified peptide inhibitor generated by de novo drug design.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Rhizopuspepsin | polymer | 329 | 34685.3 | 2 | UniProt (P06026) Pfam (PF00026) In PDB | Rhizopus microsporus var. chinensis | |
| 2 | W, Y | ALA-CYS-VAL-LYS | polymer | 4 | 420.5 | 2 | synthetic construct | ||
| 3 | B | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 4 | W, Y | CYCLOHEXANE | non-polymer | 84.2 | 2 | Chemie (CHX) | |||
| 5 | water | water | 18.0 | 745 | Chemie (HOH) |
Sequence modifications
A, B: -3 - 325 (UniProt: P06026)
| PDB | External Database | Details |
|---|---|---|
| Ile 15 | Val 83 | variant |
| Asn 61 | Lys 129 | variant |
| Glu 325 | Gln 393 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 70211.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 191.3 | |
| All* | Total formula weight | 70402.9 |
