8hhq

Covalent bond formation between cysteine of PPARg-LBD and iodoacetic acid

Method: X-RAY DIFFRACTION Dmax: 85.7 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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 204–477 Chain B; UniProt 204–477 Not recorded GOA GLYCOLIC ACID × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.4;293 K;0.1 M Tris-HCl pH 7.4, 0.8 M sodium citrate Resolution 2.40 Å R-free 0.266

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 500 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PPARG_HUMAN
Isoform P37231-2
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 3–276; UniProt 204–477 Author chain B; PDBConstruct 3–276; UniProt 204–477

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 8hhq

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id8hhq
Deposition date deposition_date2022-11-16
Structure title titleCovalent bond formation between cysteine of PPARg-LBD and iodoacetic acid
Keywords keywordsPPARg-LBD, Iodoacetic acid, Cysteine, Covalent modifier, TRANSCRIPTION; 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_electron24.47
Forward intensity I(0) i049368400.00
Molecular weight molecular_weight57287.0 kDa
Excluded volume excluded_volume72992 ų
Envelope volume envelope_volume87263 ų
Hydration-shell volume shell_volume29484 ų
Envelope diameter envelope_diameter88.2
Shell Rg shell_rg31.76
Envelope Rg envelope_rg24.60
Shape Rg shape_rg24.45
Total Rg total_rg25.42
Total atoms total_atoms4031
Residues n_residues506
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 dmax85.7
Rg (real space) rg_real25.51
Rg uncertainty (real space) rg_real_error0.52
I(0) (real space) i0_real4.9370e+07
I(0) uncertainty (real space) i0_real_error6.9550e+05
Rg (reciprocal space) rg_reciprocal25.53
I(0) (reciprocal space) i0_reciprocal49370000.0000
Solution quality estimate total_estimate0.8806
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary29.0
Skewness Skewness skewness0.287
Kurtosis Kurtosis kurtosis-0.313
Angular range angular_range— – 0.3100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13000000.0000
Real-space data points n_real_points63
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.828; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.961

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

8. Citations (1)

9. Files and Curves (10)