SAXSdb — 9s17

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1. Structure Basics

entry_id	9s17
deposition_date	2025-07-18
last_revision	2026-05-27
title	WRN helicase in complex with molecule 81
keywords	Inhibitor, Covalent, Helicase, allosteric, HYDROLASE; 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	29.47 Å
rg_electron	28.67 Å
i0	278699000.00
molecular_weight	87293.0 kDa
excluded_volume	83542 Å³
envelope_volume	143400 Å³
shell_volume	40778 Å³
envelope_diameter	96.7 Å
shell_rg	36.73 Å
envelope_rg	28.38 Å
shape_rg	28.63 Å
total_rg	29.27 Å
total_atoms	6549
n_residues	805
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	90.2 Å
rg_real	29.34 Å
rg_real_error	0.55 Å
i0_real	2.7870e+08
i0_real_error	3.5870e+06
rg_reciprocal	29.40 Å
i0_reciprocal	278700000.0000
total_estimate	0.9068
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	36.7 Å
skewness	0.175
kurtosis	-0.521
angular_range	— – 0.2700 Å⁻¹
current_alpha	0.0000
highest_alpha	44150000.0000
n_real_points	55
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.953; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.933

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	;Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN ;
formula_weight	48597.1 kDa
ec_number	3.1.-.-,5.6.2.4
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6882

GMNEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	17

Entity 4 non-polymer

description	(2~{R},4~{R})-4-ethyl-~{N}-[(2~{S})-4-methylsulfonylbutan-2-yl]-2-phenyl-piperidine-1-carboxamide
formula_weight	366.5 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	6

Entity 6 non-polymer

description	DIMETHYL SULFOXIDE
formula_weight	78.1 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	227

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6. Citations (1)

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length_a	56.091 Å
length_b	92.729 Å
length_c	96.298 Å
angle_alpha	90.00 °
angle_beta	105.57 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.910 Å
resolution_low	92.770 Å
r_factor	0.2205
r_work	0.2190
r_free	0.2476

fit	/app/data/saxs_computation/s1/9s17/9s17.fit
pddf	/app/data/pr_computation/s1/9s17/9s17.pr.out
profile	/app/data/saxs_computation/s1/9s17/9s17.dat

WRN helicase in complex with molecule 81

SAXS Profile

P(r) Distribution