3UT3
A novel PAI-I inhibitor and its structural mechanism
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Plasminogen activator inhibitor 1 | polymer | 375 | 42309.5 | 4 | UniProt (P05121) Pfam (PF00079) | Homo sapiens (human) | PAI, PAI-1, Endothelial plasminogen activator inhibitor, Serpin E1 |
| 2 | E (B) | 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione | non-polymer | 294.4 | 1 | Chemie (EMJ) |
Sequence modifications
A, B, C, D: 5 - 379 (UniProt: P05121)
| PDB | External Database | Details |
|---|---|---|
| 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 | 4 |
| Total formula weight | 169238.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 294.4 | |
| All* | Total formula weight | 169532.4 |
