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 | Plasminogen activator inhibitor 1 | polymer | 379 | 42751.0 | 2 | UniProt (P05121) Pfam (PF00079) In PDB | Homo sapiens (Human) | PAI-1,Endothelial plasminogen activator inhibitor,Serpin E1 |
2 | A | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | non-polymer | 384.8 | 1 | Chemie (RV2) | |||
3 | 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 |