› 6y3u

X-ray diffraction
2.62Å resolution

Crystal structure of PPARgamma in complex with compound (R)-16

Released:
DOI: 10.2210/pdb6y3u/pdb
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PDB entry 6y3u coloured by chain, front view.
PDB entry 6y3u coloured by chain, side view.
PDB entry 6y3u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Selective Modulator of Peroxisome Proliferator-Activated Receptor γ with an Unprecedented Binding Mode.
Hanke T, Cheung SY, Kilu W, Heering J, Ni X, Planz V, Schierle S, Faudone G, Friedrich M, Wanior M, Werz O, Windbergs M, Proschak E, Schubert-Zsilavecz M, Chaikuad A, Knapp S, Merk D
J Med Chem 63 4555-4561 (2020)
PMID: 32267688

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153368 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisome proliferator-activated receptor gamma Chain: A
Molecule details ›
Chain: A
Length: 277 amino acids
Theoretical weight: 31.67 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P37231 (Residues: 231-505; Coverage: 55%)
Gene names: NR1C3, PPARG
Sequence domains: Ligand-binding domain of nuclear hormone receptor

Ligands and Environments

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

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P41212
Unit cell:
a: 62.059Å b: 62.059Å c: 167.021Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.254
Expression system: Escherichia coli BL21(DE3)

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Citations

1 citations in other articles

A New FXR Ligand Chemotype with Agonist/Antagonist Switch.
Helmstädter et al. (2021)

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