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9sqx

Crystal structure of IL-17A in complex with compound 19

Method: X-RAY DIFFRACTION D_max: 81.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sqx
deposition_date	2025-09-23
title	Crystal structure of IL-17A in complex with compound 19
keywords	Inhibitor, Complex, CYTOKINE; CYTOKINE
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	25.41 Å
rg_electron	24.62 Å
i0	91095100.00
molecular_weight	47698.0 kDa
excluded_volume	44920 Å³
envelope_volume	82163 Å³
shell_volume	28145 Å³
envelope_diameter	83.5 Å
shell_rg	31.45 Å
envelope_rg	24.43 Å
shape_rg	24.60 Å
total_rg	25.24 Å
total_atoms	3579
n_residues	432
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	81.2 Å
rg_real	25.33 Å
rg_real_error	0.55 Å
i0_real	9.1100e+07
i0_real_error	1.2610e+06
rg_reciprocal	25.36 Å
i0_reciprocal	91100000.0000
total_estimate	0.9031
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	32.8 Å
skewness	0.223
kurtosis	-0.406
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	10150000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Interleukin-17A
formula_weight	14251.1 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	4035

MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;~{N}-[(~{S})-cyclohexyl-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]-1~{H}-1,2,4-triazol-5-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide ;
formula_weight	448.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	10

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	333

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6. Citations (1)

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length_a	61.236 Å
length_b	59.069 Å
length_c	71.101 Å
angle_alpha	90.00 °
angle_beta	101.73 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.413 Å
resolution_low	20.480 Å
r_factor	0.2078
r_work	0.2068
r_free	0.2267

fit	/app/data/saxs_computation/sq/9sqx/9sqx.fit
pddf	/app/data/pr_computation/sq/9sqx/9sqx.pr.out
profile	/app/data/saxs_computation/sq/9sqx/9sqx.dat

Crystal structure of IL-17A in complex with compound 19

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