← Back to search

9qbv

Crystal structure of WRN in complex with (R)-11 (GSK4766470)

Method: X-RAY DIFFRACTION D_max: 83.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9qbv
deposition_date	2025-03-03
last_revision	2026-03-11
title	Crystal structure of WRN in complex with (R)-11 (GSK4766470)
keywords	helicase, WRN, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	24.48 Å
rg_electron	23.85 Å
i0	74909100.00
molecular_weight	44883.0 kDa
excluded_volume	43126 Å³
envelope_volume	72558 Å³
shell_volume	25722 Å³
envelope_diameter	88.0 Å
shell_rg	30.53 Å
envelope_rg	23.82 Å
shape_rg	23.84 Å
total_rg	24.42 Å
total_atoms	3379
n_residues	418
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	83.9 Å
rg_real	24.49 Å
rg_real_error	0.52 Å
i0_real	7.4910e+07
i0_real_error	1.0790e+06
rg_reciprocal	24.49 Å
i0_reciprocal	74910000.0000
total_estimate	0.8742
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.377
kurtosis	-0.296
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	10450000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.810; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.933; Smooth: 0.997

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	;Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN ;
formula_weight	50480.9 kDa
ec_number	3.1.-.-,5.6.2.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3482

NLGLPTKEEEEDDENEANEGEEDDDKDFLWPAPNEEQVTCLKMYFGHSSFKPVQWKVIHSVLEERRDNVAVMATGYGKSLCFQYPPVYVGKIGLVISPLISLMEDQVLQLKMSNIPACFLGSAQSENVLTDIKLGKYRIVYVTPEYCSGNMGLLQQLEADIGITLIAVDEAHCISEWGHDFRDSFRKLGSLKTALPMVPIVALTATASSSIREDIVRCLNLRNPQITCTGFDRPNLYLEVRRKTGNILQDLQPFLVKTSSHWEFEGPTIIYCPSRKMTQQVTGELRKLNLSCGTYHAGMSFSTRKDIHHRFVRDEIQCVIATIAFGMGINKADIRQVIHYGAPKDMESYYQEIGRAGRDGLQSSCHVLWAPADINLNRHLLTEIRNEKFRLYKLKMMAKMEKYLHSSRCRRQIILSHFEDKQVQKASLGIMGTEKCCDNCRSR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	1-[(2~{R})-2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one
formula_weight	342.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	6

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	95

▶

6. Citations (1)

▶

length_a	58.184 Å
length_b	58.310 Å
length_c	132.998 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	2.150 Å
resolution_low	39.340 Å
r_factor	0.1964
r_work	0.1930
r_free	0.2584

fit	/app/data/saxs_computation/qb/9qbv/9qbv.fit
pddf	/app/data/pr_computation/qb/9qbv/9qbv.pr.out
profile	/app/data/saxs_computation/qb/9qbv/9qbv.dat