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 |