4DHR
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 | 14-3-3 protein sigma | polymer | 235 | 26501.9 | 1 | UniProt (P31947) Pfam (PF00244) In PDB | Homo sapiens (human) | Epithelial cell marker protein 1, Stratifin |
2 | A | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
3 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | A | (2-{2-[(2-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid | non-polymer | 341.7 | 1 | Chemie (Y04) | |||
6 | water | water | 18.0 | 323 | 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 | 626.2 | |
All* | Total formula weight | 27128.1 |