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9wh9

Crystal Structure of Bovine STING bound to diABZI3

Method: X-RAY DIFFRACTION D_max: 77.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wh9
deposition_date	2025-08-26
last_revision	2026-03-04
title	Crystal Structure of Bovine 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	23.76 Å
rg_electron	22.75 Å
i0	55397900.00
molecular_weight	38354.0 kDa
excluded_volume	36896 Å³
envelope_volume	62947 Å³
shell_volume	23383 Å³
envelope_diameter	80.4 Å
shell_rg	29.58 Å
envelope_rg	23.01 Å
shape_rg	22.71 Å
total_rg	23.45 Å
total_atoms	2908
n_residues	356
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	77.0 Å
rg_real	23.76 Å
rg_real_error	0.55 Å
i0_real	5.5400e+07
i0_real_error	7.3690e+05
rg_reciprocal	23.76 Å
i0_reciprocal	55400000.0000
total_estimate	0.8170
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.7 Å
skewness	0.348
kurtosis	-0.359
angular_range	— – 0.3350 Å⁻¹
current_alpha	0.0000
highest_alpha	8894000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.882; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.000

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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	22249.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	3032

MVAHGLAWSYYIGYLRLILPGLPARIQIYNQFHNNTLQGAGSHRLHILFPLDCGVPDDLNVADPNIRFLHELPQQSADRAGIKGRVYTNSIYELLENGQRAGVCVLEYATPLQTLFAMSQDGRAGFSREDRLEQAKLFCRTLEDILANAPESQNNCRLIVYQEPAEGSSFSLSQEILQHLRQEEREVLEHHHHHH

Source

organism	Bos taurus
common_name	domestic cattle
ncbi_taxonomy_id	9913
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	nat
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	124

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6. Citations (1)

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length_a	44.997 Å
length_b	57.544 Å
length_c	136.378 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.810 Å
resolution_low	29.330 Å
r_factor	0.2029
r_work	0.1999
r_free	0.2583

fit	/app/data/saxs_computation/wh/9wh9/9wh9.fit
pddf	/app/data/pr_computation/wh/9wh9/9wh9.pr.out
profile	/app/data/saxs_computation/wh/9wh9/9wh9.dat

Crystal Structure of Bovine 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