Human TEAD1 in complex with 2-(4-chloro-3-{3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)ethan-1-ol

entry_id	9s64
deposition_date	2025-07-30
last_revision	2026-02-04
title	Human TEAD1 in complex with 2-(4-chloro-3-{3-methyl-5-[4-(trifluoromethyl)phenoxy]phenyl}-1H-pyrrolo[3,2-c]pyridin-1-yl)ethan-1-ol
keywords	;INHIBITOR, MESOTHELIOMA TUMOR REGRESSION TRANSCRIPTION, TRANSCRIPTION REGULATION, TRANSCRIPTION-PROTEI BINDING COMPLEX, TRANSCRIPTION ;; TRANSCRIPTION
method	X-RAY DIFFRACTION

rg_guinier	32.14 Å
rg_electron	31.31 Å
i0	256755000.00
molecular_weight	86674.0 kDa
excluded_volume	84438 ų
envelope_volume	151750 ų
shell_volume	40240 ų
envelope_diameter	104.4 Å
shell_rg	38.50 Å
envelope_rg	30.83 Å
shape_rg	31.31 Å
total_rg	31.78 Å
total_atoms	6553
n_residues	792
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	101.2 Å
rg_real	32.00 Å
rg_real_error	0.70 Å
i0_real	2.5680e+08
i0_real_error	4.2080e+06
rg_reciprocal	32.07 Å
i0_reciprocal	256800000.0000
total_estimate	0.9070
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	41.3 Å
skewness	0.145
kurtosis	-0.618
angular_range	— – 0.2450 Å−1
current_alpha	0.0000
highest_alpha	31340000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.948; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.943

Unit Cell

length_a	73.709 Å
length_b	81.877 Å
length_c	76.596 Å
angle_alpha	90.00 °
angle_beta	97.31 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.850 Å
resolution_low	36.550 Å
r_factor	0.2166
r_work	0.2147
r_free	0.2546

Diffraction

temperature

100.0 K

Files (7)

• pr_distribution /app/data/pr_computation/s6/9s64/pr_distribution.json
• pr_output /app/data/pr_computation/s6/9s64/9s64.pr.out
• pr_plot /app/data/visualization/pr_computation/s6/9s64/9s64_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/s6/9s64/9s64.dat
• saxs_fit /app/data/saxs_computation/s6/9s64/9s64.fit
• saxs_log /app/data/saxs_computation/s6/9s64/9s64.log
• saxs_plot /app/data/visualization/saxs_computation/s6/9s64/9s64_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/s6/9s64/9s64.fit
pddf	/app/data/pr_computation/s6/9s64/9s64.pr.out
profile	/app/data/saxs_computation/s6/9s64/9s64.dat