› 6tym

X-ray diffraction
1.42Å resolution

KEAP1 Kelch domain in complex with Compound 9

Released:
DOI: 10.2210/pdb6tym/pdb
PDB entry 6tym coloured by chain, front view.
PDB entry 6tym coloured by chain, side view.
PDB entry 6tym coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis and identification of novel, orally bioavailable non-covalent Nrf2 activators.
Ma B, Lucas B, Capacci A, Lin EY, Jones JH, Dechantsreiter M, Enyedy I, Marcotte D, Xiao G, Li B, Richter K
Bioorg Med Chem Lett 30 126852 (2020)
PMID: 31898999

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171933 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kelch-like ECH-associated protein 1 Chain: A
Molecule details ›
Chain: A
Length: 293 amino acids
Theoretical weight: 32.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14145 (Residues: 321-609; Coverage: 46%)
Gene names: INRF2, KEAP1, KIAA0132, KLHL19
Sequence domains: Kelch motif

Ligands and Environments

3 bound ligands:
Ligand GOL 1 x GOL
Ligand DMS 1 x DMS
Ligand 08A 2 x 08A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: I222
Unit cell:
a: 63.882Å b: 91.766Å c: 96.951Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.141 0.141 0.165
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Role of Nrf2 in Synaptic Plasticity and Memory in Alzheimer's Disease.
Davies et al. (2021)
2 more

3 mentions without citation

Myricitrin, a Glycosyloxyflavone in Myrica esculenta Bark Ameliorates Diabetic Nephropathy via Improving Glycemic Status, Reducing Oxidative Stress, and Suppressing Inflammation.
Dua et al. (2021)
2 more