← Back to search

10ak

Crystal Structure of Human WRN helicase with compound 4

Method: X-RAY DIFFRACTION D_max: 82.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	10ak
deposition_date	2026-01-08
title	Crystal Structure of Human WRN helicase with compound 4
keywords	DNA HELICASE, RecQ Family, Allosteric Inhibitor, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.45 Å
rg_electron	23.76 Å
i0	77323900.00
molecular_weight	45485.0 kDa
excluded_volume	43628 Å³
envelope_volume	74060 Å³
shell_volume	26249 Å³
envelope_diameter	87.3 Å
shell_rg	30.62 Å
envelope_rg	23.76 Å
shape_rg	23.75 Å
total_rg	24.34 Å
total_atoms	3420
n_residues	423
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

▼

3. P(r) Analysis (GNOM)

dmax	82.9 Å
rg_real	24.43 Å
rg_real_error	0.55 Å
i0_real	7.7320e+07
i0_real_error	1.1630e+06
rg_reciprocal	24.44 Å
i0_reciprocal	77320000.0000
total_estimate	0.8797
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.6 Å
skewness	0.351
kurtosis	-0.303
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	10960000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.827; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.990

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	;Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN ;
formula_weight	49106.6 kDa
ec_number	3.1.-.-,5.6.2.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3977

ANEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSRLDHC

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	1

Entity 3 non-polymer

description	N-benzyl-N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-2-[4-(1H-pyrrol-1-yl)phenyl]acetamide
formula_weight	408.5 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

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	459

▶

6. Citations (1)

▶

length_a	58.293 Å
length_b	58.216 Å
length_c	131.619 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	1.370 Å
resolution_low	65.810 Å
r_factor	0.2037
r_work	0.2031
r_free	0.2141

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