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9qfz

Human PPAR-gamma ligand binding domain in complex with LW132

Method: X-RAY DIFFRACTION D_max: 86.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qfz
deposition_date	2025-03-13
last_revision	2026-03-25
title	Human PPAR-gamma ligand binding domain in complex with LW132
keywords	;PPAR, PPAR gamma, PPARg, peroxisome proliferator-activated receptor gamma, nuclear receptor, transcription factor, partial agonist, agonist, TRANSCRIPTION ;; TRANSCRIPTION
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	26.14 Å
rg_electron	25.38 Å
i0	104677000.00
molecular_weight	55041.0 kDa
excluded_volume	53882 Å³
envelope_volume	90046 Å³
shell_volume	29496 Å³
envelope_diameter	89.2 Å
shell_rg	32.45 Å
envelope_rg	25.45 Å
shape_rg	25.33 Å
total_rg	26.05 Å
total_atoms	4167
n_residues	525
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	86.8 Å
rg_real	26.09 Å
rg_real_error	0.72 Å
i0_real	1.0470e+08
i0_real_error	1.5350e+06
rg_reciprocal	26.11 Å
i0_reciprocal	104700000.0000
total_estimate	0.8905
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.289
kurtosis	-0.381
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	24110000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Peroxisome proliferator-activated receptor gamma
formula_weight	31410.5 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,A
atom_count	4229

GSHMESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	4-[5-chloranyl-1-[2-chloranyl-6-(trifluoromethyl)phenyl]carbonyl-indazol-3-yl]-3-[(phenylmethyl)amino]benzoic acid
formula_weight	584.4 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	62

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6. Citations (1)

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length_a	93.683 Å
length_b	61.287 Å
length_c	118.947 Å
angle_alpha	90.00 °
angle_beta	101.70 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.100 Å
resolution_low	32.930 Å
r_factor	0.2191
r_work	0.2168
r_free	0.2649

fit	/app/data/saxs_computation/qf/9qfz/9qfz.fit
pddf	/app/data/pr_computation/qf/9qfz/9qfz.pr.out
profile	/app/data/saxs_computation/qf/9qfz/9qfz.dat

Human PPAR-gamma ligand binding domain in complex with LW132

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction