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10ra

Human SARM1 TIR domain bound to compound 6

Method: X-RAY DIFFRACTION D_max: 66.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10ra
deposition_date	2026-02-02
title	Human SARM1 TIR domain bound to compound 6
keywords	Hydrolase, inhibitor, adduct, NAD; HYDROLASE
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	21.30 Å
rg_electron	20.51 Å
i0	36424500.00
molecular_weight	31258.0 kDa
excluded_volume	30311 Å³
envelope_volume	50203 Å³
shell_volume	20638 Å³
envelope_diameter	68.3 Å
shell_rg	26.57 Å
envelope_rg	20.61 Å
shape_rg	20.45 Å
total_rg	21.23 Å
total_atoms	2364
n_residues	280
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	66.0 Å
rg_real	21.26 Å
rg_real_error	0.38 Å
i0_real	3.6420e+07
i0_real_error	4.7890e+05
rg_reciprocal	21.27 Å
i0_reciprocal	36420000.0000
total_estimate	0.9071
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.3 Å
skewness	0.299
kurtosis	-0.519
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	11530000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Sterile alpha and TIR motif-containing protein 1
formula_weight	16333.7 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2499

SNADTPDVFISYRRNSGSQLASLLKVHLQLHGFSVFIDVEKLEAGKFEDKLIQSVMGARNFVLVLSPGALDKCMQDHDCKDWVHKEIVTALSCGKNIVPIIDGFEWPEPQVLPEDMQAVLTFNGIKWSHEYQEATIEKIIRFLQ

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(4S,6P)-6-(5-fluoro-1H-indol-2-yl)imidazo[1,2-a]pyrazin-2-yl]pyridin-1-ium (non-preferred name) ;
formula_weight	871.6 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	135

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6. Citations (1)

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length_a	86.320 Å
length_b	116.820 Å
length_c	33.310 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	1.790 Å
resolution_low	69.420 Å
r_factor	—
r_work	0.2022
r_free	0.2387

fit	/app/data/saxs_computation/0r/10ra/10ra.fit
pddf	/app/data/pr_computation/0r/10ra/10ra.pr.out
profile	/app/data/saxs_computation/0r/10ra/10ra.dat

Human SARM1 TIR domain bound to compound 6

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