4G8O
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, C, D (A, B, C, D) | Plasminogen activator inhibitor 1 | polymer | 376 | 42380.6 | 4 | UniProt (P05121) Pfam (PF00079) | Homo sapiens (human) | PAI, PAI-1, Endothelial plasminogen activator inhibitor, Serpin E1 |
| 2 | E, G, H, I, J... (A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 3 | F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | L (D) | (2S)-3-({[3-(trifluoromethyl)phenoxy]carbonyl}amino)propane-1,2-diyl bis(3,4,5-trihydroxybenzoate) | non-polymer | 583.4 | 1 | Chemie (96P) | |||
| 5 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 163 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 169522.3 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1221.9 | |
| All* | Total formula weight | 170744.1 |
