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9r9k

IRAK4 in complex with inhibitor

Method: X-RAY DIFFRACTION D_max: 107.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9r9k
deposition_date	2025-05-20
last_revision	2025-10-01
title	IRAK4 in complex with inhibitor
keywords	inhibitor complex phosphorylation signal transduction, 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	33.85 Å
rg_electron	33.14 Å
i0	529589000.00
molecular_weight	122040.0 kDa
excluded_volume	116940 Å³
envelope_volume	213280 Å³
shell_volume	52279 Å³
envelope_diameter	114.8 Å
shell_rg	41.02 Å
envelope_rg	32.98 Å
shape_rg	33.12 Å
total_rg	33.60 Å
total_atoms	9193
n_residues	1142
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	107.9 Å
rg_real	33.75 Å
rg_real_error	0.66 Å
i0_real	5.2960e+08
i0_real_error	8.3730e+06
rg_reciprocal	33.81 Å
i0_reciprocal	529600000.0000
total_estimate	0.8909
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	43.6 Å
skewness	0.271
kurtosis	-0.296
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	68920000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.905

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Interleukin-1 receptor-associated kinase 4
formula_weight	34635.0 kDa
ec_number	2.7.11.1
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	9831

GENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	~{N}-[3-aminocarbonyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
formula_weight	396.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	638

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6. Citations (1)

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length_a	142.321 Å
length_b	140.495 Å
length_c	88.401 Å
angle_alpha	90.00 °
angle_beta	123.50 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.870 Å
resolution_low	90.660 Å
r_factor	0.2164
r_work	0.2150
r_free	0.2422

fit	/app/data/saxs_computation/r9/9r9k/9r9k.fit
pddf	/app/data/pr_computation/r9/9r9k/9r9k.pr.out
profile	/app/data/saxs_computation/r9/9r9k/9r9k.dat

IRAK4 in complex with inhibitor

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