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9wh8

Crystal Structure of Human STING bound to diABZI3

Method: X-RAY DIFFRACTION D_max: 61.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wh8
deposition_date	2025-08-26
last_revision	2026-03-04
title	Crystal Structure of Human STING bound to diABZI3
keywords	STING, diABZI3, SIGNALING PROTEIN; SIGNALING PROTEIN
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	17.98 Å
rg_electron	16.91 Å
i0	14628000.00
molecular_weight	19012.0 kDa
excluded_volume	18286 Å³
envelope_volume	30821 Å³
shell_volume	15578 Å³
envelope_diameter	62.4 Å
shell_rg	22.70 Å
envelope_rg	17.24 Å
shape_rg	16.87 Å
total_rg	17.73 Å
total_atoms	1441
n_residues	172
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	61.6 Å
rg_real	17.92 Å
rg_real_error	0.38 Å
i0_real	1.4630e+07
i0_real_error	1.6610e+05
rg_reciprocal	17.93 Å
i0_reciprocal	14630000.0000
total_estimate	0.8683
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.5 Å
skewness	0.291
kurtosis	-0.226
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	2894000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.771; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Stimulator of interferon genes protein
formula_weight	21543.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B
atom_count	1535

SVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTGDRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;1-[(2E)-4-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-1,3-benzimidazol-1-yl}but-2-en-1-yl]-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-[3-(morpholin-4-yl)propoxy]-1H-1,3-benzimidazole-5-carboxamide ;
formula_weight	849.9 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (1)

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length_a	62.763 Å
length_b	62.763 Å
length_c	219.376 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	1.900 Å
resolution_low	34.140 Å
r_factor	0.2121
r_work	0.2097
r_free	0.2625

fit	/app/data/saxs_computation/wh/9wh8/9wh8.fit
pddf	/app/data/pr_computation/wh/9wh8/9wh8.pr.out
profile	/app/data/saxs_computation/wh/9wh8/9wh8.dat

Crystal Structure of Human STING bound to diABZI3

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