MolNFT v1 · #115336 · protein
Crystal structure of murine KEAP1 in complex with RA839, a non- covalent small-molecule binder to KEAP1 and selective activator of NRF2 signalling.
5CGJ · Kelch-like ech-associated protein 1: “Crystal structure of murine KEAP1 in complex with RA839, a non- covalent small-molecule binder to KEAP1 and…”. X-ray diffraction, 2 ligands (51M, SO4), 1 pocket (best druggability 0.74). MolNFT…
- PDB
- 5CGJ
- Type
- protein
- Length
- 290 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
- 51M, SO4
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 0% helix, 54% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kelch-like ech-associated protein 1 | protein | 290 | 0% helix, 54% strand | Q9Z2X8 |
Ligands and binding sites
- 51M · (3S)-1-(4-{[(2,3,5,6-tetramethylphenyl)sulfonyl]amino}naphthalen-1-yl)pyrrolidine-3-carboxylic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 654 | 0.74 | 0.81 | 56 | SO4, 51M |
Compared structures
- 5CGJ · Crystal structure of murine Keap1 in complex with RA839, a non-covalent small-molecule… · 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
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 5CGJ · PDBe 5CGJ · UniProt Q9Z2X8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.