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9vzq

Crystal structure of RORgamma in complex with novel inverse agonist

Method: X-RAY DIFFRACTION D_max: 65.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vzq
deposition_date	2025-07-23
last_revision	2026-06-03
title	Crystal structure of RORgamma in complex with novel inverse agonist
keywords	inverse agonist, 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	20.00 Å
rg_electron	18.71 Å
i0	15046700.00
molecular_weight	29821.0 kDa
excluded_volume	37659 Å³
envelope_volume	43230 Å³
shell_volume	19413 Å³
envelope_diameter	66.1 Å
shell_rg	24.86 Å
envelope_rg	18.91 Å
shape_rg	18.70 Å
total_rg	19.65 Å
total_atoms	2097
n_residues	253
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	65.0 Å
rg_real	19.91 Å
rg_real_error	0.36 Å
i0_real	1.5050e+07
i0_real_error	1.9420e+05
rg_reciprocal	19.93 Å
i0_reciprocal	15050000.0000
total_estimate	0.8900
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.221
kurtosis	-0.323
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	2641000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.857; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Nuclear receptor ROR-gamma
formula_weight	28639.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2198

APYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	Nuclear receptor coactivator 1
formula_weight	1500.7 kDa
ec_number	2.3.1.48
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

AQQKSLLQQLLTE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	(25R)-14beta,17beta-spirost-5-en-3beta-ol
formula_weight	414.6 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	101

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6. Citations (1)

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length_a	61.644 Å
length_b	61.644 Å
length_c	155.618 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.180 Å
resolution_low	48.360 Å
r_factor	0.2044
r_work	0.2019
r_free	0.2509

fit	/app/data/saxs_computation/vz/9vzq/9vzq.fit
pddf	/app/data/pr_computation/vz/9vzq/9vzq.pr.out
profile	/app/data/saxs_computation/vz/9vzq/9vzq.dat

Crystal structure of RORgamma in complex with novel inverse agonist

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

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)