Research workbench
Crystal structure of KEAP1 in complex with the N-terminal region of the NRF2 transcription factor
Analyse Crystal structure of KEAP1 in complex with the N-terminal region of the NRF2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WN7
- Type
- protein
- Length
- 620 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kelch-like ech-associated protein 1; Peptide from nuclear factor erythroid 2-related…
- UniProt
- Q9Z2X8, Q60795
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, L | Kelch-like ech-associated protein 1 | protein | 286 | 0% helix, 50% strand | Q9Z2X8 |
| B, M | Peptide from nuclear factor erythroid 2-related factor 2 | protein | 24 | 58% helix, 0% strand | Q60795 |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 414 | 0.74 | 0.84 | 38 | ACT |
| 2 | 440 | 0.74 | 0.84 | 39 | ACT |
| 3 | 218 | 0.64 | 0.83 | 23 | empty |
| 4 | 82 | 0.30 | 0.73 | 26 | empty |
Interfaces
5 interfaces between chains.
- L–M · 759 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 754 Ų buried · 14 hydrogen bonds · protein-protein
- B–L · 124 Ų buried · 0 hydrogen bonds · protein-protein
- A–M · 119 Ų buried · 0 hydrogen bonds · protein-protein
- A–L · 115 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3WN7 · Crystal Structure of Keap1 in Complex with the N-terminal region of the Nrf2… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Z2X8 · AlphaFold monomer V2.0 prediction for kelch-like ech-associated protein 1 (Q9Z2X8) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q60795 · AlphaFold monomer V2.0 prediction for nuclear factor erythroid 2-related factor 2 (Q60795) · a predicted model of the same protein · chain B against A, TM-score 0.42
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Z2X8
- Every structure of UniProt Q60795
- Elsewhere: RCSB PDB 3WN7 · PDBe 3WN7 · UniProt Q9Z2X8 · UniProt Q60795
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