SAXSdb — 9wji

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1. Structure Basics

entry_id	9wji
deposition_date	2025-08-31
title	Alkylsulfone-bound human VAChT
keywords	VAChT, SLC18A3, Acetylcholine, Alkylsulfone, TRANSPORT PROTEIN; TRANSPORT PROTEIN
method	ELECTRON MICROSCOPY

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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	21.20 Å
rg_electron	20.38 Å
i0	52021500.00
molecular_weight	39465.0 kDa
excluded_volume	39185 Å³
envelope_volume	61925 Å³
shell_volume	24504 Å³
envelope_diameter	74.2 Å
shell_rg	27.87 Å
envelope_rg	20.96 Å
shape_rg	20.39 Å
total_rg	21.08 Å
total_atoms	3003
n_residues	394
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	70.0 Å
rg_real	21.56 Å
rg_real_error	0.16 Å
i0_real	5.1300e+07
i0_real_error	5.5810e+05
rg_reciprocal	21.13 Å
i0_reciprocal	52020000.0000
total_estimate	0.6836
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	25.8 Å
skewness	0.370
kurtosis	-0.098
angular_range	— – 0.3750 Å⁻¹
current_alpha	6.2940
highest_alpha	9871000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.854; Stabil: 0.926; Sysdev: 0.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.577

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

Entity 1 polymer

description	Maltose/maltodextrin-binding periplasmic protein,Vesicular acetylcholine transporter,DARPins
formula_weight	112705.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3003

MEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLIDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRVAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDAALAAAQAEEEKRKAEEEKRKLVLVIVCVALLLDNMLYMVIVPIVPDYIAHMRGGGEGPTRTPEVWEPTLPLPTPANASAYTANTSASPTAAWPAGSALRPRYPTESEDVKIGVLFASKAILQLLVNPLSGPFIDRMSYDVPLLIGLGVMFASTVLFAFAEDYATLFAARSLQGLGSAFADTSGIAMIADKYPEEPERSRALGVALAFISFGSLVAPPFGGILYEFAGKRVPFLVLAAVSLFDALLLLAVAKPFSAAARARANLPVGTPIHRLMLDPYIAVVAGALTTCNIPLAFLEPTIATWMKHTMAASEWEMGMAWLPAFVPHVLGVYLTVRLAARYPHLQWLYGALGLAVIGASSCIVPACRSFAPLVVSLCGLCFGIALVDTALLPTLAFLVDVRHVSVYGSVYAIADISYSVAYALGPIVAGHIVHSLGFEQLSLGMGLANLLYAPVLLLLRNVGLLTRSRSERDVLLDEPPQGLYDAVRLRERPVSGQDGEPRSPPGPFDECEDDGGGGSGGGGSDLGRKLLEAARAGQLDEVRILLANGADVNAADNTGTTPLHLAAYSGHLEIVEVLLKHGADVDASDVFGYTPLHLAAYWGHLEIVEVLLKNGADVNAMDSDGMTPLHLAAKWGYLEIVEVLLKHGADVNAQDKFGKTAFDISIDNGNEDLAEILQKLNLEGGSLEVLFQ

Source

organism	synthetic construct
ncbi_taxonomy_id	32630
host_organism	Homo sapiens

Entity 2 non-polymer

description	2-(3-ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
formula_weight	370.4 kDa
src_method	syn
entity_count	1

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	3.40 Å
resolution_method	—
num_particles	210095

fit	/app/data/saxs_computation/wj/9wji/9wji.fit
pddf	/app/data/pr_computation/wj/9wji/9wji.pr.out
profile	/app/data/saxs_computation/wj/9wji/9wji.dat

Alkylsulfone-bound human VAChT

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

EM 3D

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)