← Back to search

9sr8

Crystal structure of IL-17A in complex with compound 22

Method: X-RAY DIFFRACTION D_max: 64.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9sr8
deposition_date	2025-09-24
title	Crystal structure of IL-17A in complex with compound 22
keywords	Inhibitor, Complex, CYTOKINE; CYTOKINE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	19.85 Å
rg_electron	19.27 Å
i0	18662900.00
molecular_weight	21342.0 kDa
excluded_volume	20251 Å³
envelope_volume	33886 Å³
shell_volume	15585 Å³
envelope_diameter	63.7 Å
shell_rg	24.40 Å
envelope_rg	19.48 Å
shape_rg	19.26 Å
total_rg	19.87 Å
total_atoms	1606
n_residues	196
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

▼

3. P(r) Analysis (GNOM)

dmax	64.0 Å
rg_real	19.95 Å
rg_real_error	0.42 Å
i0_real	1.8660e+07
i0_real_error	2.3510e+05
rg_reciprocal	19.94 Å
i0_reciprocal	18660000.0000
total_estimate	0.7001
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	19.8 Å
skewness	0.424
kurtosis	-0.455
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	2726000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 0.210; Positv: 1.000; Valcen: 0.900; Smooth: 0.968

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	Interleukin-17A
formula_weight	14251.1 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	1622

MPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHSPNSFRLEKILVSVGCTCVTPIVHHVA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;~{N}-[(~{S})-[3-[[7-bromanyl-3-methyl-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-1~{H}-1,2,4-triazol-5-yl]-cyclohexyl-methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide ;
formula_weight	557.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	16

▶

6. Citations (1)

▶

length_a	64.565 Å
length_b	85.004 Å
length_c	119.898 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.565 Å
resolution_low	59.950 Å
r_factor	0.2346
r_work	0.2335
r_free	0.2539

fit	/app/data/saxs_computation/sr/9sr8/9sr8.fit
pddf	/app/data/pr_computation/sr/9sr8/9sr8.pr.out
profile	/app/data/saxs_computation/sr/9sr8/9sr8.dat

Crystal structure of IL-17A in complex with compound 22

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