2XUC
Natural product-guided discovery of a fungal chitinase 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 (A, B, C) | CHITINASE | polymer | 310 | 34086.9 | 3 | UniProt (Q873Y0) Pfam (PF00704) | ASPERGILLUS FUMIGATUS | CHITINASE A1 |
| 2 | D, E, H, I, M (A, B, C) | 1-methyl-3-(N-methylcarbamimidoyl)urea | non-polymer | 130.1 | 5 | Chemie (XRG) | |||
| 3 | F, J, K, N (A, B, C) | PHOSPHATE ION | non-polymer | 95.0 | 4 | Chemie (PO4) | |||
| 4 | G, L (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 5 | O, P, Q (A, B, C) | water | water | 18.0 | 177 | Chemie (HOH) |
Sequence modifications
A, B, C: 29 - 337 (UniProt: Q873Y0)
| PDB | External Database | Details |
|---|---|---|
| Phe 28 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 102260.7 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1101.5 | |
| All* | Total formula weight | 103362.2 |
