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9t5s

Crystal structure of human PPARalpha in complex with co-activator PGC-1 alpha peptide and bempedoic acid

Method: X-RAY DIFFRACTION D_max: 100.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9t5s
deposition_date	2025-11-05
title	Crystal structure of human PPARalpha in complex with co-activator PGC-1 alpha peptide and bempedoic acid
keywords	Peroxisome proliferator-activated receptor alpha (PPARalpha), bempedoic acid (BA), nuclear receptor, activator, 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	30.68 Å
rg_electron	30.01 Å
i0	60405800.00
molecular_weight	64235.0 kDa
excluded_volume	81831 Å³
envelope_volume	100950 Å³
shell_volume	29177 Å³
envelope_diameter	103.3 Å
shell_rg	35.75 Å
envelope_rg	29.86 Å
shape_rg	29.95 Å
total_rg	30.79 Å
total_atoms	9141
n_residues	563
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	100.4 Å
rg_real	30.82 Å
rg_real_error	0.83 Å
i0_real	6.0410e+07
i0_real_error	9.2240e+05
rg_reciprocal	30.77 Å
i0_reciprocal	60400000.0000
total_estimate	0.8664
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.0 Å
skewness	0.398
kurtosis	-0.569
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	20490000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.850; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.862; Smooth: 0.849

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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	32745.1 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	9718

MGSSHHHHHHSSGLVPRGSHMTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
formula_weight	2067.4 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

QEAEEPSLLKKLLLAPANT

Entity 3 non-polymer

description	Bempedoic acid
formula_weight	344.5 kDa
src_method	nat
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	340

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6. Citations (1)

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length_a	60.253 Å
length_b	99.748 Å
length_c	61.612 Å
angle_alpha	90.00 °
angle_beta	99.80 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.740 Å
resolution_low	38.540 Å
r_factor	0.1798
r_work	0.1781
r_free	0.2113

fit	/app/data/saxs_computation/t5/9t5s/9t5s.fit
pddf	/app/data/pr_computation/t5/9t5s/9t5s.pr.out
profile	/app/data/saxs_computation/t5/9t5s/9t5s.dat

Crystal structure of human PPARalpha in complex with co-activator PGC-1 alpha peptide and bempedoic acid

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)