4pwl

Crystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)

Method: X-RAY DIFFRACTION Dmax: 87.0 Å Quality: REASONABLE

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 223–505 Chain B; UniProt 223–505 Fragment:Ligand Binding Domain, UNP RESIDUES 223-505 MSZ (2S)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;0.8M Sodium Citrate, pH 8, 0.15M Tris, VAPOR DIFFUSION, SITTING DROP, temperature 293K Resolution 2.60 Å R-free 0.308

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
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 5–287; UniProt 223–505 Author chain B; PDBConstruct 5–287; UniProt 223–505

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 4pwl

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4pwl
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4pwl
Deposition date deposition_date2014-03-20
Structure title titleCrystal structure of the complex between PPARgamma-LBD and the S enantiomer of Mbx-102 (Metaglidasen)
Keywords keywords;ALPHA-HELICES, SMALL FOUR-STRANDED BETA-SHEET, ACTIVATOR, DNA-BINDING, NUCLEUS, OBESITY, RECEPTOR, TRANSCRIPTION, TRANSCRIPTION REGULATION X-RAY DIFFRACTION, Transcription Factor, RXR-alpha ;; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier26.33
Radius of gyration Rg (electron density) rg_electron25.19
Forward intensity I(0) i050398300.00
Molecular weight molecular_weight57917.0 kDa
Excluded volume excluded_volume73803 ų
Envelope volume envelope_volume91526 ų
Hydration-shell volume shell_volume30061 ų
Envelope diameter envelope_diameter90.0
Shell Rg shell_rg32.44
Envelope Rg envelope_rg25.37
Shape Rg shape_rg25.15
Total Rg total_rg26.20
Total atoms total_atoms4072
Residues n_residues507
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 dmax87.0
Rg (real space) rg_real26.26
Rg uncertainty (real space) rg_real_error0.54
I(0) (real space) i0_real5.0400e+07
I(0) uncertainty (real space) i0_real_error7.1510e+05
Rg (reciprocal space) rg_reciprocal26.28
I(0) (reciprocal space) i0_reciprocal50400000.0000
Solution quality estimate total_estimate0.7258
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary85.5
Skewness Skewness skewness0.283
Kurtosis Kurtosis kurtosis-0.360
Angular range angular_range— – 0.3000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha14700000.0000
Real-space data points n_real_points61
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 0.291; Positv: 1.000; Valcen: 0.997; Smooth: 0.976

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4pwla_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain
Domain ID domain_idd4pwlb_
Class classa — All alpha proteins
Fold Fold folda.123 — Nuclear receptor ligand-binding domain
Superfamily Superfamily superfamilya.123.1 — Nuclear receptor ligand-binding domain
Family Family familya.123.1.1 — Nuclear receptor ligand-binding domain

CATH v4.4 (2 domains)

Domain ID domain_id4pwlA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor
Domain ID domain_id4pwlB00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology565 — Retinoid X Receptor
Homologous superfamily homologous superfamily10 — Retinoid X Receptor

8. Citations (1)

9. Files and Curves (10)