mouse Keap1 in complex with stapled peptide. Determined by X-ray diffraction at 1.33 Å resolution. Released 25 Oct 2023.
Explore 8Q1R in 3D Show helices and sheets RCSB PDB PDBe
8Q1R contains 6 α-helices and 42 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 |
|---|---|---|---|
| β-strand | 326-331 | 6 | 1 |
| β-strand | 334-335 | 2 | 2 |
| β-strand | 337-338 | 2 | 2 |
| β-strand | 342-346 | 5 | 1 |
| β-strand | 351-355 | 5 | 1 |
| α-helix | 356-358 | 3 | |
| β-strand | 363 | 1 | 3 |
| β-strand | 366-370 | 5 | 4 |
| β-strand | 373-377 | 5 | 4 |
| β-strand | 380-383 | 4 | 3 |
| β-strand | 386-389 | 4 | 3 |
| β-strand | 393-397 | 5 | 4 |
| β-strand | 402-405 | 4 | 4 |
| α-helix | 407-409 | 3 | |
| β-strand | 414 | 1 | 5 |
| β-strand | 417-421 | 5 | 6 |
| β-strand | 424-428 | 5 | 6 |
| β-strand | 431-432 | 2 | 5 |
| β-strand | 435-436 | 2 | 5 |
| β-strand | 440-444 | 5 | 6 |
| β-strand | 449-452 | 4 | 6 |
| α-helix | 454-456 | 3 | |
| β-strand | 461 | 1 | 7 |
| β-strand | 464-468 | 5 | 8 |
| β-strand | 471-475 | 5 | 8 |
| β-strand | 478 | 1 | 7 |
| β-strand | 483 | 1 | 7 |
| β-strand | 487-491 | 5 | 8 |
| α-helix | 492-494 | 3 | |
| β-strand | 496-500 | 5 | 8 |
| α-helix | 501-503 | 3 | |
| β-strand | 508 | 1 | 9 |
| β-strand | 511-515 | 5 | 10 |
| β-strand | 518-522 | 5 | 10 |
| β-strand | 525 | 1 | 9 |
| β-strand | 530 | 1 | 9 |
| β-strand | 534-538 | 5 | 10 |
| β-strand | 543-546 | 4 | 10 |
| α-helix | 548-550 | 3 | |
| β-strand | 555 | 1 | 11 |
| β-strand | 558-562 | 5 | 12 |
| β-strand | 565-569 | 5 | 12 |
| β-strand | 572 | 1 | 11 |
| β-strand | 577 | 1 | 11 |
| β-strand | 580-585 | 6 | 12 |
| β-strand | 590-596 | 7 | 12 |
| β-strand | 602 | 1 | 2 |
| β-strand | 605-610 | 6 | 1 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | A | protein | 303 | Mus musculus | Q9Z2X8 (AlphaFold model) |
| Stapled peptide | E | protein | 11 | synthetic construct |
>8Q1R_1 Kelch-like ECH-associated protein 1 (chains A) PKVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRN NSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVE RYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMIT PMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITV HQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPCRKQIDQQN CTC
>8Q1R_2 Stapled peptide (chains E) XCDPETGECLX
| ID | Name | Formula | Copies |
|---|---|---|---|
| IZS | ethyl 2-[(4,6-diethylpyrimidin-2-yl)-methyl-amino]ethanoate | C13 H21 N3 O2 | 1 |
Water and common crystallization additives (NA, SO4) are not listed.
A cell-active cyclic peptide targeting the Nrf2/Keap1 protein-protein interaction. Iegre, J., Krajcovicova, S., Gunnarsson, A. et al. Chem Sci (2023) 14:10800-10805. DOI 10.1039/d3sc04083f · PubMed
Other PDB entries of the same protein (UniProt Q9Z2X8 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 8Q1R directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.