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9suv

Structure of an inhibitor of Human TGF-beta Type I Receptor

Method: X-RAY DIFFRACTION D_max: 67.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9suv
deposition_date	2025-09-30
title	Structure of an inhibitor of Human TGF-beta Type I Receptor
keywords	Human TGF-beta Type I Receptor, TGFbetaR1, cytokine, inhibitor, kinase, TRANSFERASE; TRANSFERASE
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	20.05 Å
rg_electron	19.15 Å
i0	37308600.00
molecular_weight	31214.0 kDa
excluded_volume	29969 Å³
envelope_volume	48182 Å³
shell_volume	20802 Å³
envelope_diameter	67.1 Å
shell_rg	25.82 Å
envelope_rg	19.54 Å
shape_rg	19.14 Å
total_rg	19.83 Å
total_atoms	2359
n_residues	287
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	67.8 Å
rg_real	19.97 Å
rg_real_error	0.40 Å
i0_real	3.7310e+07
i0_real_error	4.0090e+05
rg_reciprocal	19.99 Å
i0_reciprocal	37310000.0000
total_estimate	0.8768
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.257
kurtosis	-0.328
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	10130000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.800; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.995

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	TGF-beta receptor type-1
formula_weight	34939.2 kDa
ec_number	2.7.11.30
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2757

GGTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLSQQEGIKM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	;~{N}-[4-[[6-(5-chloranyl-2-fluoranyl-phenyl)-3-(2-hydroxyethylsulfanyl)pyridazin-4-yl]amino]pyridin-2-yl]-3-(4-methylpiperazin-1-yl)propanamide ;
formula_weight	546.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	290

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6. Citations (1)

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length_a	49.160 Å
length_b	61.690 Å
length_c	91.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.500 Å
resolution_low	45.800 Å
r_factor	0.1848
r_work	0.1835
r_free	0.2110

fit	/app/data/saxs_computation/su/9suv/9suv.fit
pddf	/app/data/pr_computation/su/9suv/9suv.pr.out
profile	/app/data/saxs_computation/su/9suv/9suv.dat

Structure of an inhibitor of Human TGF-beta Type I Receptor

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