MolNFT v1 · #171738 · protein
KEAP1 kelch domain bound to a small molecule inhibitor of the KEAP1- NRF2 protein-protein interaction
6ZF2 · Kelch-like ech-associated protein 1: “KEAP1 kelch domain bound to a small molecule inhibitor of the KEAP1- NRF2 protein-protein interaction”. X-ray diffraction, 2 ligands (QJ5, SO4), 1 pocket (best druggability 0.73). MolNFT v1…
- PDB
- 6ZF2
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kelch-like ech-associated protein 1
- UniProt
- Q9Z2X8
- Ligands
- QJ5, SO4
- Pockets
- 1 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kelch-like ech-associated protein 1 | protein | 288 | 1% helix, 52% strand | Q9Z2X8 |
Ligands and binding sites
- QJ5 · 5-cyclopropyl-1-[3-[(4-propylphenyl) sulfonylamino]phenyl]pyrazole-4-carboxylic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 604 | 0.73 | 0.80 | 51 | DMS, QJ5 |
Compared structures
- 6ZF2 · Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein… · 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 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 Q9Z2X8
- Elsewhere: RCSB PDB 6ZF2 · PDBe 6ZF2 · UniProt Q9Z2X8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.