7AQG
Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Plasminogen activator inhibitor 1 | polymer | 379 | 42780.0 | 1 | UniProt (P05121) Pfam (PF00079) | Homo sapiens (Human) | PAI-1,Endothelial plasminogen activator inhibitor,Serpin E1 |
| 2 | B (B) | VHH-2g-42 (Nb42) | polymer | 116 | 12752.3 | 1 | Vicugna pacos | ||
| 3 | C (C) | VHH-2w-64 (Nb64) | polymer | 121 | 13087.4 | 1 | Vicugna pacos | ||
| 4 | D (A) | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | non-polymer | 384.8 | 1 | Chemie (RV2) | |||
| 5 | E, F, G (A, B, C) | water | water | 18.0 | 49 | Chemie (HOH) |
Sequence modifications
A: 1 - 379 (UniProt: P05121)
| PDB | External Database | Details |
|---|---|---|
| Phe 175 | Trp 198 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 68619.7 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 384.8 | |
| All* | Total formula weight | 69004.4 |
