Structure of the human smoothened receptor in complex with SANT-1. Determined by X-ray diffraction at 2.8 Å resolution. Released 22 Jan 2014.
Explore 4N4W in 3D Show helices and sheets RCSB PDB PDBe
4N4W contains 20 α-helices and 10 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 | 3-18 | 16 | |
| α-helix | 23-41 | 19 | |
| α-helix | 56-80 | 25 | |
| α-helix | 84-91 | 8 | |
| α-helix | 94-105 | 12 | |
| β-strand | 197-199 | 3 | 1 |
| β-strand | 206 | 1 | 1 |
| β-strand | 213-215 | 3 | 1 |
| β-strand | 216 | 1 | 2 |
| α-helix | 224-253 | 30 | |
| α-helix | 256-259 | 4 | |
| α-helix | 265-282 | 18 | |
| α-helix | 283-285 | 3 | |
| α-helix | 289-294 | 6 | |
| β-strand | 295 | 1 | 3 |
| β-strand | 300 | 1 | 2 |
| β-strand | 301 | 1 | 3 |
| α-helix | 302 | 1 | |
| β-strand | 305 | 1 | 4 |
| α-helix | 313-341 | 29 | |
| α-helix | 342-345 | 4 | |
| α-helix | 357-378 | 22 | |
| β-strand | 381-383 | 3 | 4 |
| β-strand | 390-392 | 3 | 4 |
| α-helix | 397-400 | 4 | |
| α-helix | 401-405 | 5 | |
| α-helix | 406-432 | 27 | |
| α-helix | 446-490 | 45 | |
| α-helix | 515-533 | 19 | |
| α-helix | 539-550 | 12 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Cytochrome b(562),Smoothened homolog | A | protein | 475 | Shigella flexneri 5 str. 8401, Homo sapiens | Q0SXH8 (AlphaFold model), Q99835 (AlphaFold model) |
>4N4W_1 Cytochrome b(562),Smoothened homolog (chains A) GGTADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPE MKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLSGQCEVPLVRT DNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSN RYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRLGEPTSNETLSCVIIFVI VYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQ VDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEK AASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPT KQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGQ
| ID | Name | Formula | Copies |
|---|---|---|---|
| SNT | (E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methani… | C23 H27 N5 | 1 |
| ZN | Zinc ion | Zn | 2 |
| OLC | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | C21 H40 O4 | 2 |
Water and common crystallization additives (PEG, PG4) are not listed.
Structural basis for Smoothened receptor modulation and chemoresistance to anticancer drugs. Wang, C., Wu, H., Evron, T. et al. Nat Commun (2014) 5:4355-4355. DOI 10.1038/ncomms5355 · PubMed
Other PDB entries of the same protein (UniProt Q0SXH8 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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