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9sfs

Human PPAR alpha ligand binding domain in complex with 10-HSA ligand

Method: X-RAY DIFFRACTION D_max: 62.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sfs
deposition_date	2025-08-20
last_revision	2026-04-08
title	Human PPAR alpha ligand binding domain in complex with 10-HSA ligand
keywords	NUCLEAR RECEPTOR, PROTEIN-LIGAND COMPLEX, PPAR, TRANSCRIPTION, DNA-BINDING, AGONIST, 10-HSA; 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	19.67 Å
rg_electron	18.73 Å
i0	28226600.00
molecular_weight	27534.0 kDa
excluded_volume	26837 Å³
envelope_volume	43120 Å³
shell_volume	19385 Å³
envelope_diameter	65.0 Å
shell_rg	24.89 Å
envelope_rg	18.89 Å
shape_rg	18.72 Å
total_rg	19.44 Å
total_atoms	2080
n_residues	261
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	62.9 Å
rg_real	19.60 Å
rg_real_error	0.36 Å
i0_real	2.8230e+07
i0_real_error	3.5020e+05
rg_reciprocal	19.61 Å
i0_reciprocal	28230000.0000
total_estimate	0.8144
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	23.9 Å
skewness	0.275
kurtosis	-0.357
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	6047000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 0.999; 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 alpha
formula_weight	30423.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2179

GSTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	(S)-10-Hydroxystearic acid
formula_weight	300.5 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	68

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6. Citations (1)

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length_a	44.558 Å
length_b	61.249 Å
length_c	53.081 Å
angle_alpha	90.00 °
angle_beta	106.86 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	50.800 Å
r_factor	0.2326
r_work	0.2301
r_free	0.2849

fit	/app/data/saxs_computation/sf/9sfs/9sfs.fit
pddf	/app/data/pr_computation/sf/9sfs/9sfs.pr.out
profile	/app/data/saxs_computation/sf/9sfs/9sfs.dat

Human PPAR alpha ligand binding domain in complex with 10-HSA ligand

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