4DHM
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 | 26485.9 | 1 | UniProt (P31947) Pfam (PF00244) | Homo sapiens (human) | Epithelial cell marker protein 1, Stratifin |
| 2 | B, C, D (A) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 3 | E, F, G (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 4 | H (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | I (A) | [2-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid | non-polymer | 375.2 | 1 | Chemie (0KB) | |||
| 6 | J (A) | water | water | 18.0 | 378 | 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 | 26485.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 646.6 | |
| All* | Total formula weight | 27132.5 |
