Crystal structure of the HECT domain of Smurf 1 in complex with inhibitor 8. Determined by X-ray diffraction at 2.05 Å resolution. Released 16 Apr 2025.
Explore 9FSJ in 3D Show helices and sheets RCSB PDB PDBe
9FSJ contains 24 α-helices and 13 β-strands across 1 chain. 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 | 376-391 | 16 | |
| β-strand | 398-403 | 6 | 1 |
| α-helix | 408-417 | 10 | |
| α-helix | 421-424 | 4 | |
| β-strand | 427-432 | 6 | 1 |
| α-helix | 442-454 | 13 | |
| α-helix | 458-460 | 3 | |
| β-strand | 463-465 | 3 | 2 |
| β-strand | 473-475 | 3 | 2 |
| α-helix | 479-481 | 3 | |
| α-helix | 485-501 | 17 | |
| β-strand | 510 | 1 | 2 |
| α-helix | 512-518 | 7 | |
| α-helix | 522-524 | 3 | |
| α-helix | 525-528 | 4 | |
| α-helix | 533-544 | 12 | |
| β-strand | 554 | 1 | 3 |
| β-strand | 556-559 | 4 | 4 |
| β-strand | 566-569 | 4 | 4 |
| α-helix | 574-576 | 3 | |
| β-strand | 578 | 1 | 3 |
| α-helix | 584-597 | 14 | |
| α-helix | 601-614 | 14 | |
| α-helix | 617-620 | 4 | |
| α-helix | 625-635 | 11 | |
| α-helix | 640-645 | 6 | |
| β-strand | 647-650 | 4 | 5 |
| α-helix | 657-668 | 12 | |
| α-helix | 671-682 | 12 | |
| α-helix | 692-694 | 3 | |
| α-helix | 695-697 | 3 | |
| β-strand | 707-711 | 5 | 5 |
| α-helix | 719-720 | 2 | |
| β-strand | 721-723 | 3 | 5 |
| α-helix | 724-726 | 3 | |
| β-strand | 728-731 | 4 | 5 |
| α-helix | 737-748 | 12 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase SMURF1 | A | protein | 377 | Homo sapiens | Q9HCE7 (AlphaFold model) |
>9FSJ_1 E3 ubiquitin-protein ligase SMURF1 (chains A) GPDLVQKLKVLRHELSLQQPQAGHCRIEVSREEIFEESYRQIMKMRPKDLKKRLMVKFRG EEGLDYGGVAREWLYLLCHEMLNPYYGLFQYSTDNIYMLQINPDSSINPDHLSYFHFVGR IMGLAVFHGHYINGGFTVPFYKQLLGKPIQLSDLESVDPELHKSLVWILENDITPVLDHT FCVEHNAFGRILQHELKPNGRNVPVTEENKKEYVRLYVNWRFMRGIEAQFLALQKGFNEL IPQHLLKPFDQKELELIIGGLDKIDLNDWKSNTRLKHCVADSNIVRWFWQAVETFDEERR ARLLQFVTGSTRVPLQGFKALQGSTGAAGPRLFTIHLIDANTDNLPKAHTCFNRIDIPPY ESYEKLYEKLLTAVEET
| ID | Name | Formula | Copies |
|---|---|---|---|
| TJQ | ethyl 5-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]-2,4-dimethyl-1~{H}-pyrrole… | C20 H24 N2 O5 | 1 |
Therapeutic potential of allosteric HECT E3 ligase inhibition. Rothman, A.M.K., Florentin, A., Zink, F. et al. Cell (2025) 188:2603. DOI 10.1016/j.cell.2025.03.001 · PubMed
Other PDB entries of the same protein (UniProt Q9HCE7 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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