MolNFT v1 · #138335 · protein
Kelch domain of human KEAP1 bound to NRF2 etge peptide
5WFV · Kelch-like ech-associated protein 1: “Kelch domain of human KEAP1 bound to NRF2 etge peptide”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.77). MolNFT v1 #138335 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5WFV
- Type
- protein
- Length
- 582 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kelch-like ech-associated protein 1; NRF2 etge peptide
- UniProt
- Q14145
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 0% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kelch-like ech-associated protein 1 | protein | 284 | 0% helix, 52% strand | Q14145 |
| B | Kelch-like ech-associated protein 1 | protein | 289 | 0% helix, 52% strand | Q14145 |
| P | NRF2 etge peptide | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains B
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 | 666 | 0.77 | 0.82 | 76 | empty |
| 2 | 436 | 0.72 | 0.82 | 39 | empty |
| 3 | 274 | 0.59 | 0.79 | 38 | empty |
| 4 | 107 | 0.40 | 0.76 | 23 | SO4 |
Interfaces
2 interfaces between chains.
- A–P · 538 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 375 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5WFV · Kelch domain of human Keap1 bound to Nrf2 ETGE peptide · the same entry in another collection · chain A against A, TM-score 1.00
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 Q14145
- Elsewhere: RCSB PDB 5WFV · PDBe 5WFV · UniProt Q14145
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