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9r6k

Crystal structure of PPARgamma in complex with the bisphenol derivative BPPH

Method: X-RAY DIFFRACTION D_max: 63.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r6k
deposition_date	2025-05-12
title	Crystal structure of PPARgamma in complex with the bisphenol derivative BPPH
keywords	Nuclear receptor, Peroxisome proliferator-activated receptor gamma, 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	19.80 Å
rg_electron	18.88 Å
i0	25985800.00
molecular_weight	26781.0 kDa
excluded_volume	26292 Å³
envelope_volume	42271 Å³
shell_volume	18998 Å³
envelope_diameter	66.6 Å
shell_rg	24.91 Å
envelope_rg	19.13 Å
shape_rg	18.82 Å
total_rg	19.65 Å
total_atoms	2033
n_residues	263
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	63.8 Å
rg_real	19.75 Å
rg_real_error	0.47 Å
i0_real	2.5990e+07
i0_real_error	3.5090e+05
rg_reciprocal	19.76 Å
i0_reciprocal	25990000.0000
total_estimate	0.7840
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.3 Å
skewness	0.323
kurtosis	-0.254
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	4617000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.745; Stabil: 0.985; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

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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	31863.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2091

GSHMQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY

Source

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

Entity 2 non-polymer

description	4-[2-(4-oxidanyl-3-phenyl-phenyl)propan-2-yl]-2-phenyl-phenol
formula_weight	380.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	55

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6. Citations (1)

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length_a	65.883 Å
length_b	65.883 Å
length_c	157.234 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	tetragonal

resolution	2.300 Å
resolution_low	60.760 Å
r_factor	0.2096
r_work	0.2061
r_free	0.2591

fit	/app/data/saxs_computation/r6/9r6k/9r6k.fit
pddf	/app/data/pr_computation/r6/9r6k/9r6k.pr.out
profile	/app/data/saxs_computation/r6/9r6k/9r6k.dat

Crystal structure of PPARgamma in complex with the bisphenol derivative BPPH

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