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9yk2

Crystal structure of TEAD2 with non-covalent aryl ether inhibitor.

Method: X-RAY DIFFRACTION D_max: 74.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9yk2
deposition_date	2025-10-06
title	Crystal structure of TEAD2 with non-covalent aryl ether inhibitor.
keywords	Hippo pathway, transcription factor, Inhibitor, 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	23.16 Å
rg_electron	22.19 Å
i0	66684000.00
molecular_weight	42830.0 kDa
excluded_volume	41601 Å³
envelope_volume	71128 Å³
shell_volume	26349 Å³
envelope_diameter	75.6 Å
shell_rg	29.38 Å
envelope_rg	22.25 Å
shape_rg	22.19 Å
total_rg	22.87 Å
total_atoms	3250
n_residues	390
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	74.0 Å
rg_real	23.04 Å
rg_real_error	0.37 Å
i0_real	6.6680e+07
i0_real_error	8.8660e+05
rg_reciprocal	23.07 Å
i0_reciprocal	66690000.0000
total_estimate	0.8963
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.5 Å
skewness	0.181
kurtosis	-0.460
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	11390000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Transcriptional enhancer factor TEF-4
formula_weight	26471.9 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3342

GNAWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHCPSPGAPPLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGPSGEEAGAGGSISSGGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVRD

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	(3P)-N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-4-[4-(trifluoromethyl)phenoxy]benzene-1-sulfonamide
formula_weight	411.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	92

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6. Citations (1)

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length_a	113.669 Å
length_b	60.820 Å
length_c	80.519 Å
angle_alpha	90.00 °
angle_beta	110.52 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.160 Å
resolution_low	75.410 Å
r_factor	0.2250
r_work	0.2220
r_free	0.2880

fit	/app/data/saxs_computation/yk/9yk2/9yk2.fit
pddf	/app/data/pr_computation/yk/9yk2/9yk2.pr.out
profile	/app/data/saxs_computation/yk/9yk2/9yk2.dat

Crystal structure of TEAD2 with non-covalent aryl ether inhibitor.

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