2CNG
Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | polymer | 321 | 37365.6 | 1 | UniProt (P18031) Pfam (PF00102) | HOMO SAPIENS (HUMAN) | PROTEIN TYROSINE PHOSPHATASE 1B, PTP-1B |
| 2 | B (A) | N-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE | non-polymer | 534.4 | 1 | Chemie (IZE) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D, E (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | F (A) | water | water | 18.0 | 254 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37365.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 742.9 | |
| All* | Total formula weight | 38108.6 |
