4G8R
Crystal Structure of a novel small molecule inactivator bound to plasminogen activator inhibitor-1
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Plasminogen activator inhibitor-1 | polymer | 376 | 42380.6 | 2 | UniProt (P05121) Pfam (PF00079) | Homo sapiens (human) | PAI, PAI-1, Endothelial plasminogen activator inhibitor, Serpin E1 |
| 2 | C (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 3 | D, E (B) | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) | non-polymer | 583.4 | 2 | Chemie (96P) | |||
| 4 | F, G (A, B) | water | water | 18.0 | 224 | Chemie (HOH) |
Sequence modifications
A, B: 5 - 379 (UniProt: P05121)
| PDB | External Database | Details |
|---|---|---|
| Ala 4 | - | expression tag |
| His 150 | Asn 173 | engineered mutation |
| Thr 154 | Lys 177 | engineered mutation |
| Leu 319 | Gln 342 | engineered mutation |
| Ile 354 | Met 377 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 84761.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1262.9 | |
| All* | Total formula weight | 86024.0 |
