8fhf

Crystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437

Method: X-RAY DIFFRACTION Dmax: 84.9 Å Quality: GOOD

1. Protein Identity and Related Structures Protein Identity & Related Structures

Peroxisome proliferator-activated receptor gamma

Homo sapiens

UniProt P37231

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 231–505 Not recorded XZK N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide × 1 KNA nonanoic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000 Resolution 2.10 Å R-free 0.285
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 231–505 Not recorded XZK N-(4-carbamoylphenyl)-2-chloro-5-nitrobenzamide × 1 KNA nonanoic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.2M Ammonium sulfate, 0.1M MES, pH 6.5, 30% w/v, PEG 8000 Resolution 2.10 Å R-free 0.285

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

369 other PDB entries and 499 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PPARG_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–275; UniProt 231–505 Author chain B; PDBConstruct 1–275; UniProt 231–505

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 8fhf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 8fhf
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2. Structure Basics 2. Structure Basics

Entry ID entry_id8fhf
Deposition date deposition_date2022-12-14
Structure title titleCrystal structure of PPARgamma ligand-binding domain in complex with ZINC5672437
Keywords keywordsNuclear receptors, TZDs, Drug design, Therapeutic targets, TRANSCRIPTION, transcription-agonist complex; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier25.57
Radius of gyration Rg (electron density) rg_electron24.50
Forward intensity I(0) i050050500.00
Molecular weight molecular_weight58208.0 kDa
Excluded volume excluded_volume74317 ų
Envelope volume envelope_volume87421 ų
Hydration-shell volume shell_volume29366 ų
Envelope diameter envelope_diameter87.1
Shell Rg shell_rg31.94
Envelope Rg envelope_rg24.72
Shape Rg shape_rg24.47
Total Rg total_rg25.48
Total atoms total_atoms4097
Residues n_residues504
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax84.9
Rg (real space) rg_real25.50
Rg uncertainty (real space) rg_real_error0.53
I(0) (real space) i0_real5.0050e+07
I(0) uncertainty (real space) i0_real_error6.6520e+05
Rg (reciprocal space) rg_reciprocal25.53
I(0) (reciprocal space) i0_reciprocal50050000.0000
Solution quality estimate total_estimate0.8851
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.8
Skewness Skewness skewness0.277
Kurtosis Kurtosis kurtosis-0.348
Angular range angular_range— – 0.3100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13940000.0000
Real-space data points n_real_points63
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.849; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.956

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

8. Citations (1)

9. Files and Curves (10)