2CNI
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) | METHYL 2-{[5-({3-CHLORO-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-N-(PHENYLSULFONYL)-L-PHENYLALANYL}AMINO)PENTYL]OXY}-6-HYDROXYBENZOATE | non-polymer | 708.2 | 1 | Chemie (IZF) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | water | water | 18.0 | 302 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37365.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 732.5 | |
| All* | Total formula weight | 38098.1 |
