MolNFT v1 · #174767 · protein
Crystal structure of KEAP1 in complex with monoethyl fumarate (mef)
7C60 · Kelch-like ech-associated protein 1: “Crystal structure of KEAP1 in complex with monoethyl fumarate (mef)”. X-ray diffraction, 2 ligands (NF3, SO4), 1 pocket (best druggability 0.72). MolNFT v1 #174767 on GenesisL1: 3D structure…
- PDB
- 7C60
- Type
- protein
- Length
- 297 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
- NF3, SO4
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 1% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kelch-like ech-associated protein 1 | protein | 297 | 1% helix, 50% strand | Q9Z2X8 |
Ligands and binding sites
- NF3 · (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid · ligand · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- ACT · Acetate ion · additive · 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 | 593 | 0.72 | 0.80 | 58 | ACT, NF3 |
Compared structures
- 7C60 · Crystal structure of Keap1 in complex with monoethyl fumarate (MEF) · 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 0.98
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 7C60 · PDBe 7C60 · UniProt Q9Z2X8
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