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10ap

Crystal Structure of Human WRN helicase with compound 26

Method: X-RAY DIFFRACTION D_max: 85.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10ap
deposition_date	2026-01-08
title	Crystal Structure of Human WRN helicase with compound 26
keywords	DNA helicase RecQ family allosteric inhibitor, 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	24.70 Å
rg_electron	24.07 Å
i0	79099500.00
molecular_weight	45849.0 kDa
excluded_volume	43888 Å³
envelope_volume	75656 Å³
shell_volume	26439 Å³
envelope_diameter	88.6 Å
shell_rg	31.00 Å
envelope_rg	24.17 Å
shape_rg	24.07 Å
total_rg	24.64 Å
total_atoms	3444
n_residues	421
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	85.1 Å
rg_real	24.70 Å
rg_real_error	0.66 Å
i0_real	7.9100e+07
i0_real_error	1.1620e+06
rg_reciprocal	24.70 Å
i0_reciprocal	79100000.0000
total_estimate	0.7897
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	27.0 Å
skewness	0.371
kurtosis	-0.310
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	11120000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.781; Stabil: 0.994; Sysdev: 1.000; Positv: 1.000; Valcen: 0.936; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	;Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN ;
formula_weight	50950.4 kDa
ec_number	3.1.-.-,5.6.2.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3494

NLGLPTKEEEEDDENEANEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHC

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	;(2R)-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-{[2-(2-hydroxypropan-2-yl)pyridin-4-yl]methyl}-2-methoxy-2-[(1M)-3,3',4'-trifluoro[1,1'-biphenyl]-4-yl]acetamide ;
formula_weight	562.6 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	40

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6. Citations (1)

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length_a	69.290 Å
length_b	71.260 Å
length_c	120.620 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.580 Å
resolution_low	46.080 Å
r_factor	0.2359
r_work	0.2335
r_free	0.2857

fit	/app/data/saxs_computation/0a/10ap/10ap.fit
pddf	/app/data/pr_computation/0a/10ap/10ap.pr.out
profile	/app/data/saxs_computation/0a/10ap/10ap.dat