7AQF
Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab)
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 | 379 | 42751.0 | 2 | UniProt (P05121) Pfam (PF00079) | Homo sapiens (Human) | PAI-1,Endothelial plasminogen activator inhibitor,Serpin E1 |
| 2 | C (A) | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | non-polymer | 384.8 | 1 | Chemie (RV2) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 481 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 379 (UniProt: P05121)
| PDB | External Database | Details |
|---|---|---|
| His 150 | Asn 173 | engineered mutation |
| Thr 154 | Lys 177 | engineered mutation |
| Pro 301 | Gln 324 | 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 | 85502.0 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 384.8 | |
| All* | Total formula weight | 85886.8 |
