4DHP
Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | 14-3-3 protein sigma | polymer | 235 | 26501.9 | 1 | UniProt (P31947) Pfam (PF00244) | Homo sapiens (human) | Epithelial cell marker protein 1, Stratifin |
| 2 | B, C, D, E, F (A) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
| 3 | G, H (A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | I (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | J (A) | [2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid | non-polymer | 409.7 | 1 | Chemie (Y07) | |||
| 6 | K (A) | water | water | 18.0 | 386 | Chemie (HOH) |
Sequence modifications
A: 1 - 231 (UniProt: P31947)
| PDB | External Database | Details |
|---|---|---|
| Ala -3 | - | expression tag |
| Met -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 26501.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 694.2 | |
| All* | Total formula weight | 27196.1 |
