2VIN
Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | UROKINASE-TYPE PLASMINOGEN ACTIVATOR CHAIN B | polymer | 253 | 28444.3 | 1 | UniProt (P00749) Pfam (PF00089) In PDB | HOMO SAPIENS (HUMAN) | UROKINASE-TYPE PLASMINOGEN ACTIVATOR, UPA, U-PLASMINOGEN ACTIVATOR |
| 2 | A | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 3 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 4 | A | (2R)-1-(2,6-dimethylphenoxy)propan-2-amine | non-polymer | 179.3 | 1 | Chemie (505) | |||
| 5 | water | water | 18.0 | 349 | Chemie (HOH) |
Sequence modifications
A: 16 - 250 (UniProt: P00749)
| PDB | External Database | Details |
|---|---|---|
| Ile 47 | Met 214 | engineered mutation |
| Ser 122 | Cys 299 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28444.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 334.4 | |
| All* | Total formula weight | 28778.7 |
