› 7xm3

X-ray diffraction
2.8Å resolution

Crystal structure of Keap1 Kelch domain (residues 322-609) in complex with 6k

Released:
DOI: 10.2210/pdb7xm3/pdb
PDB entry 7xm3 coloured by chain, front view.
PDB entry 7xm3 coloured by chain, side view.
PDB entry 7xm3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystallography-Guided Optimizations of the Keap1-Nrf2 Inhibitors on the Solvent Exposed Region: From Symmetric to Asymmetric Naphthalenesulfonamides.
Liu G, Hou R, Xu L, Zhang X, Yan J, Xing C, Xu K, Zhuang C
J. Med. Chem. 65 8289-8302 (2022)

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: 292 amino acids
Theoretical weight: 31.94 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

1 bound ligand:
Ligand GED 1 x GED
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: C2
Unit cell:
a: 126.828Å b: 76.116Å c: 48.246Å
α: 90° β: 105.194° γ: 90°
R-values:
R R work R free
0.181 0.175 0.233
Expression system: Escherichia coli

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