Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab). Determined by X-ray diffraction at 1.77 Å resolution. Released 17 Feb 2021.
Explore 7AQF in 3D Show helices and sheets RCSB PDB PDBe
7AQF contains 31 α-helices and 36 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 7-25 | 19 | |
| β-strand | 32-34 | 3 | 1 |
| α-helix | 36-47 | 12 | |
| α-helix | 52-62 | 11 | |
| α-helix | 71-83 | 13 | |
| β-strand | 91-100 | 10 | 2 |
| α-helix | 104 | 1 | |
| β-strand | 105 | 1 | 3 |
| α-helix | 106 | 1 | |
| α-helix | 109-117 | 9 | |
| β-strand | 122-124 | 3 | 2 |
| α-helix | 129-143 | 15 | |
| α-helix | 152-156 | 5 | |
| β-strand | 163-172 | 10 | 2 |
| α-helix | 173-174 | 2 | |
| β-strand | 175 | 1 | 4 |
| α-helix | 178-180 | 3 | |
| α-helix | 181-183 | 3 | |
| β-strand | 185-190 | 6 | 1 |
| β-strand | 196-214 | 19 | 1 |
| β-strand | 220-227 | 8 | 1 |
| β-strand | 228 | 1 | 4 |
| β-strand | 233-240 | 8 | 1 |
| α-helix | 248-251 | 4 | |
| α-helix | 256-264 | 9 | |
| β-strand | 267-276 | 10 | 1 |
| β-strand | 278-285 | 8 | 2 |
| α-helix | 287-292 | 6 | |
| α-helix | 297-299 | 3 | |
| β-strand | 310 | 1 | 3 |
| β-strand | 319-328 | 10 | 2 |
| β-strand | 351-353 | 3 | 1 |
| β-strand | 358-364 | 7 | 1 |
| β-strand | 369-376 | 8 | 1 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 8-26 | 19 | |
| β-strand | 32-34 | 3 | 5 |
| α-helix | 36-49 | 14 | |
| α-helix | 52-62 | 11 | |
| α-helix | 71-82 | 12 | |
| β-strand | 91-100 | 10 | 6 |
| β-strand | 105 | 1 | 7 |
| α-helix | 106 | 1 | |
| α-helix | 109-117 | 9 | |
| β-strand | 122-124 | 3 | 6 |
| α-helix | 129-143 | 15 | |
| α-helix | 152-156 | 5 | |
| β-strand | 163-172 | 10 | 6 |
| β-strand | 175 | 1 | 8 |
| α-helix | 178-180 | 3 | |
| α-helix | 181-183 | 3 | |
| β-strand | 185-190 | 6 | 5 |
| β-strand | 196-214 | 19 | 5 |
| β-strand | 220-227 | 8 | 5 |
| β-strand | 228 | 1 | 8 |
| α-helix | 229-231 | 3 | |
| β-strand | 233-240 | 8 | 5 |
| α-helix | 248-251 | 4 | |
| α-helix | 256-265 | 10 | |
| β-strand | 267-276 | 10 | 5 |
| β-strand | 278-285 | 8 | 6 |
| α-helix | 287-292 | 6 | |
| α-helix | 297-299 | 3 | |
| β-strand | 310 | 1 | 7 |
| β-strand | 319-328 | 10 | 6 |
| β-strand | 350-353 | 4 | 5 |
| β-strand | 358-364 | 7 | 5 |
| β-strand | 369-376 | 8 | 5 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Plasminogen activator inhibitor 1 | A, B | protein | 379 | Homo sapiens | P05121 (AlphaFold model) |
>7AQF_1 Plasminogen activator inhibitor 1 (chains A, B) VHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQA AMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRST VKQVDFSEVERARFIINDWVKTHTKGMISHLLGTGAVDQLTRLVLVNALYFNGQWKTPFP DSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAP YEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFR PFQADFTSLSDQEPLHVALALQKVKIEVNESGTVASSSTAVIVSARMAPEEIIIDRPFLF VVRHNPTGTVLFMGQVMEP
| ID | Name | Formula | Copies |
|---|---|---|---|
| RV2 | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | C19 H13 Cl N2 O5 | 1 |
Structural Insight into the Two-Step Mechanism of PAI-1 Inhibition by Small Molecule TM5484. Sillen, M., Miyata, T., Vaughan, D.E. et al. Int J Mol Sci (2021) 22. DOI 10.3390/ijms22031482 · PubMed
Other PDB entries of the same protein (UniProt P05121 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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