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9wnj

[M322I] Menin complexed with KO-539

Method: X-RAY DIFFRACTION D_max: 107.2 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wnj
deposition_date	2025-09-04
last_revision	2026-04-29
title	[M322I] Menin complexed with KO-539
keywords	HUMAN MENIN, TRANSCRIPTION, M322I MUTANT INHIBITOR COMPLEX, DS1594; 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	31.91 Å
rg_electron	31.39 Å
i0	321597000.00
molecular_weight	96756.0 kDa
excluded_volume	93897 Å³
envelope_volume	165150 Å³
shell_volume	43994 Å³
envelope_diameter	113.1 Å
shell_rg	38.44 Å
envelope_rg	30.91 Å
shape_rg	31.39 Å
total_rg	31.79 Å
total_atoms	7343
n_residues	918
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	107.2 Å
rg_real	31.92 Å
rg_real_error	0.76 Å
i0_real	3.2160e+08
i0_real_error	4.8180e+06
rg_reciprocal	31.92 Å
i0_reciprocal	321600000.0000
total_estimate	0.6634
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	36.5 Å
skewness	0.396
kurtosis	-0.201
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	42530000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 0.062; Positv: 1.000; Valcen: 0.998; Smooth: 0.925

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Menin
formula_weight	54705.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7830

GLKTAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYIYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRITFQSEKMKGMKELLVATKINSSAIKLQLTAQS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

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

Entity 3 non-polymer

description	Ziftomenib
formula_weight	717.9 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	372

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6. Citations (1)

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length_a	58.666 Å
length_b	82.114 Å
length_c	203.746 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	47.780 Å
r_factor	0.1681
r_work	0.1660
r_free	0.2069

fit	/app/data/saxs_computation/wn/9wnj/9wnj.fit
pddf	/app/data/pr_computation/wn/9wnj/9wnj.pr.out
profile	/app/data/saxs_computation/wn/9wnj/9wnj.dat