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9vbr

Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide

Method: X-RAY DIFFRACTION D_max: 98.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vbr
deposition_date	2025-06-04
last_revision	2026-06-10
title	Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide
keywords	Agonist, FXR, 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	29.95 Å
rg_electron	29.66 Å
i0	98136100.00
molecular_weight	52982.0 kDa
excluded_volume	51518 Å³
envelope_volume	89797 Å³
shell_volume	26371 Å³
envelope_diameter	102.3 Å
shell_rg	35.22 Å
envelope_rg	29.79 Å
shape_rg	29.65 Å
total_rg	30.06 Å
total_atoms	4014
n_residues	487
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	98.9 Å
rg_real	30.17 Å
rg_real_error	0.90 Å
i0_real	9.8140e+07
i0_real_error	1.7010e+06
rg_reciprocal	30.08 Å
i0_reciprocal	98130000.0000
total_estimate	0.8338
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.447
kurtosis	-0.611
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	20000000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.751; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.730; Smooth: 0.852

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Bile acid receptor,Nuclear receptor coactivator 1
formula_weight	29968.2 kDa
ec_number	2.3.1.48
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4093

MGHHHHHHGSTELTPDQQTLLHFIMDSYNKQRMPQEITNKILKEAFSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEARIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDVGSGSGSGSGDHQLLRYLLDKD

Source

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

Entity 2 non-polymer

description	;5-azanyl-2-[(2~{S})-1-[(2~{S},4~{R})-2,6-dimethyl-4-phenylazanyl-3,4-dihydro-2~{H}-quinolin-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione ;
formula_weight	468.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	71

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6. Citations (1)

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length_a	161.010 Å
length_b	34.650 Å
length_c	111.084 Å
angle_alpha	90.00 °
angle_beta	92.77 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.500 Å
resolution_low	46.730 Å
r_factor	0.2074
r_work	0.2049
r_free	0.2510

fit	/app/data/saxs_computation/vb/9vbr/9vbr.fit
pddf	/app/data/pr_computation/vb/9vbr/9vbr.pr.out
profile	/app/data/saxs_computation/vb/9vbr/9vbr.dat

Farnesoid X Receptor Agonists_FXR fused with a HD3 peptide

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