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9wku

Wild-type Menin complexed with JNJ-75276617

Method: X-RAY DIFFRACTION D_max: 97.9 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wku
deposition_date	2025-09-01
title	Wild-type Menin complexed with JNJ-75276617
keywords	HUMAN MENIN, TRANSCRIPTION, M322I MUTANT INHIBITOR COMPLEX, SNDX-5613; TRANSCRIPTION
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	31.56 Å
rg_electron	30.70 Å
i0	320463000.00
molecular_weight	96502.0 kDa
excluded_volume	93781 Å³
envelope_volume	164770 Å³
shell_volume	43729 Å³
envelope_diameter	105.4 Å
shell_rg	38.71 Å
envelope_rg	30.06 Å
shape_rg	30.69 Å
total_rg	31.22 Å
total_atoms	7327
n_residues	911
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	97.9 Å
rg_real	31.36 Å
rg_real_error	0.54 Å
i0_real	3.2050e+08
i0_real_error	4.5330e+06
rg_reciprocal	31.45 Å
i0_reciprocal	320500000.0000
total_estimate	0.9017
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	95.9 Å
skewness	0.094
kurtosis	-0.538
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	58730000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.959

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Menin
formula_weight	54723.1 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7904

GLKTAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYMYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRITFQSEKMKGMKELLVATKINSSAIKLQLTAQS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;N-ethyl-5-fluoro-2-{[5-(2-{(3R)-6-[(2-methoxyethyl)(methyl)amino]-2-methylhexan-3-yl}-2,6-diazaspiro[3.4]octan-6-yl)-1,2,4-triazin-6-yl]oxy}-N-(propan-2-yl)benzamide ;
formula_weight	599.8 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	4

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	nat
entity_count	3

Entity 5 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	485

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6. Citations (1)

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length_a	70.164 Å
length_b	78.357 Å
length_c	92.433 Å
angle_alpha	90.00 °
angle_beta	101.62 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.900 Å
resolution_low	42.240 Å
r_factor	0.1756
r_work	0.1741
r_free	0.2041

fit	/app/data/saxs_computation/wk/9wku/9wku.fit
pddf	/app/data/pr_computation/wk/9wku/9wku.pr.out
profile	/app/data/saxs_computation/wk/9wku/9wku.dat