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9v8f

PPARgamma ligand-binding domain in complex with PG14

Method: X-RAY DIFFRACTION D_max: 65.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9v8f
deposition_date	2025-05-29
title	PPARgamma ligand-binding domain in complex with PG14
keywords	Nuclear receptor, de novo peptide, 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	20.15 Å
rg_electron	19.20 Å
i0	31688500.00
molecular_weight	29447.0 kDa
excluded_volume	28777 Å³
envelope_volume	46608 Å³
shell_volume	20370 Å³
envelope_diameter	67.9 Å
shell_rg	25.59 Å
envelope_rg	19.38 Å
shape_rg	19.15 Å
total_rg	19.97 Å
total_atoms	2234
n_residues	273
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	65.6 Å
rg_real	20.07 Å
rg_real_error	0.47 Å
i0_real	3.1690e+07
i0_real_error	4.2730e+05
rg_reciprocal	20.09 Å
i0_reciprocal	31690000.0000
total_estimate	0.8133
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	64.7 Å
skewness	0.251
kurtosis	-0.354
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	6687000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.857; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Peroxisome proliferator-activated receptor gamma
formula_weight	31208.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2379

NPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	PG14
formula_weight	2171.6 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

XYTHHRISDYXRLTXLLCX

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	145

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6. Citations (1)

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length_a	32.510 Å
length_b	85.140 Å
length_c	99.670 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

resolution	1.750 Å
resolution_low	43.050 Å
r_factor	0.1938
r_work	0.1916
r_free	0.2304

fit	/app/data/saxs_computation/v8/9v8f/9v8f.fit
pddf	/app/data/pr_computation/v8/9v8f/9v8f.pr.out
profile	/app/data/saxs_computation/v8/9v8f/9v8f.dat

PPARgamma ligand-binding domain in complex with PG14

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)