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9q1o

Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator

Method: X-RAY DIFFRACTION D_max: 72.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q1o
deposition_date	2025-08-14
title	Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
keywords	;TEAD, inhibitor, complex, covalent, allosteric, Transcriptional enhancer factor TEF-4, TRANSCRIPTION, TRANSCRIPTION-INHIBITOR complex ;; TRANSCRIPTION/INHIBITOR
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	23.56 Å
rg_electron	22.58 Å
i0	73095800.00
molecular_weight	44941.0 kDa
excluded_volume	43636 Å³
envelope_volume	73111 Å³
shell_volume	26658 Å³
envelope_diameter	76.0 Å
shell_rg	29.77 Å
envelope_rg	22.69 Å
shape_rg	22.57 Å
total_rg	23.25 Å
total_atoms	3411
n_residues	408
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	72.4 Å
rg_real	23.44 Å
rg_real_error	0.48 Å
i0_real	7.3100e+07
i0_real_error	9.1650e+05
rg_reciprocal	23.47 Å
i0_reciprocal	73100000.0000
total_estimate	0.8008
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	29.4 Å
skewness	0.201
kurtosis	-0.456
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	10030000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.831; Stabil: 0.973; 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 (4)

Entity 1 polymer

description	Transcriptional enhancer factor TEF-4
formula_weight	26627.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,A
atom_count	3442

GHMAWQARGLGTARLQLVEFSAFVEPPDAVDSYQRHLFVHISQHCPSPGAPPLESVDVRQIYDKFPEKKGGLRELYDRGPPHAFFLVKFWADLNWGPSGEEAGAGGSISSGGFYGVSSQYESLEHMTLTCSSKVCSFGKQVVEKVETERAQLEDGRFVYRLLRSPMCEYLVNFLHKLRQLPERYMMNSVLENFTILQVVTNRDTQELLLCTAYVFEVSTSERGAQHHIYRLVRD

Source

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

Entity 2 non-polymer

description	1-{(3aS,4R,7aR)-4-[4-(trifluoromethyl)anilino]octahydro-2H-isoindol-2-yl}propan-1-one
formula_weight	340.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	FORMIC ACID
formula_weight	46.0 kDa
src_method	syn
entity_count	1

Entity 4 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	121.898 Å
length_b	61.666 Å
length_c	79.766 Å
angle_alpha	90.00 °
angle_beta	117.52 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	monoclinic

resolution	2.260 Å
resolution_low	53.560 Å
r_factor	0.2115
r_work	0.2086
r_free	0.2660

fit	/app/data/saxs_computation/q1/9q1o/9q1o.fit
pddf	/app/data/pr_computation/q1/9q1o/9q1o.pr.out
profile	/app/data/saxs_computation/q1/9q1o/9q1o.dat

Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator

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