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9smq

Crystal structure of LRH-1/TIF-2 peptide in complex with CP4

Method: X-RAY DIFFRACTION D_max: 63.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9smq
deposition_date	2025-09-08
last_revision	2025-10-15
title	Crystal structure of LRH-1/TIF-2 peptide in complex with CP4
keywords	Nuclear receptor subfamily 5 group A member 2, LRH-1, TIF-2, Nuclear receptor, NR5A2, 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	19.67 Å
rg_electron	18.68 Å
i0	29894700.00
molecular_weight	28373.0 kDa
excluded_volume	27558 Å³
envelope_volume	44593 Å³
shell_volume	19904 Å³
envelope_diameter	66.4 Å
shell_rg	25.05 Å
envelope_rg	18.90 Å
shape_rg	18.64 Å
total_rg	19.43 Å
total_atoms	2144
n_residues	265
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	63.5 Å
rg_real	19.55 Å
rg_real_error	0.36 Å
i0_real	2.9890e+07
i0_real_error	3.4860e+05
rg_reciprocal	19.57 Å
i0_reciprocal	29890000.0000
total_estimate	0.6753
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	25.0 Å
skewness	0.205
kurtosis	-0.330
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	5308000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 0.999; Sysdev: 0.424; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Nuclear receptor subfamily 5 group A member 2
formula_weight	28370.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2181

GSPASIPHLILELLKCEPDEPQVQAKIMAYLQQEQANRSKHEKLSTFGLMCKMADQTLFSIVEWARSSIFFRELKVDDQMKLLQNCWSELLILDHIYRQVVHGKEGSIFLVTGQQVDYSIIASQAGATLNNLMSHAQELVAKLRSLQFDQREFVCLKFLVLFSLDVKNLENFQLVEGVQEQVNAALLDYTMCNYPQQTEKFGQLLLRLPEIRAISMQAEEYLYYKHLNGDVPYNNLLIEMLHAKRA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Nuclear receptor coactivator 2
formula_weight	1708.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,E

KENALLRYLLDKDD

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	3-[5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoic acid
formula_weight	360.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	31

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6. Citations (1)

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length_a	62.950 Å
length_b	68.375 Å
length_c	82.770 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.200 Å
resolution_low	52.710 Å
r_factor	0.2159
r_work	0.2144
r_free	0.2443

fit	/app/data/saxs_computation/sm/9smq/9smq.fit
pddf	/app/data/pr_computation/sm/9smq/9smq.pr.out
profile	/app/data/saxs_computation/sm/9smq/9smq.dat

Crystal structure of LRH-1/TIF-2 peptide in complex with CP4

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)