› 7k2s

X-ray diffraction
2.13Å resolution

Kelch domain of human KEAP1 bound to Nrf2 cyclic peptide, c[DhA-GDPETGE]

Released:
DOI: 10.2210/pdb7k2s/pdb
PDB entry 7k2s coloured by chain, front view.
PDB entry 7k2s coloured by chain, side view.
PDB entry 7k2s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Recapitulating the Binding Affinity of Nrf2 for KEAP1 in a Cyclic Heptapeptide, Guided by NMR, X-ray Crystallography, and Machine Learning.
Ortet PC, Muellers SN, Viarengo-Baker LA, Streu K, Szymczyna BR, Beeler AB, Allen KN, Whitty A
J Am Chem Soc 143 3779-3793 (2021)
PMID: 33683866

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-168341 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Kelch-like ECH-associated protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 301 amino acids
Theoretical weight: 33.01 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q14145 (Residues: 324-624; Coverage: 48%)
Gene names: INRF2, KEAP1, KIAA0132, KLHL19
Sequence domains: Kelch motif
B3A-ASP-PRO-GLU-THR-GLY-GLU Chain: P
Molecule details ›
Chain: P
Length: 7 amino acids
Theoretical weight: 732 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand B3A 1 x B3A

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-1
Spacegroup: C2
Unit cell:
a: 161.657Å b: 68.692Å c: 77.165Å
α: 90° β: 117.64° γ: 90°
R-values:
R R work R free
0.215 0.214 0.235
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Induction of Cardiac Pathology: Endogenous versus Exogenous Nrf2 Upregulation.
Mathis et al. (2022)
5 other articles