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9wkv

[M322I] Menin complexed with JNJ-75276617

Method: X-RAY DIFFRACTION D_max: 108.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wkv
deposition_date	2025-09-01
title	[M322I] Menin complexed with JNJ-75276617
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	32.02 Å
rg_electron	31.47 Å
i0	324368000.00
molecular_weight	97264.0 kDa
excluded_volume	94467 Å³
envelope_volume	167140 Å³
shell_volume	44336 Å³
envelope_diameter	117.1 Å
shell_rg	38.54 Å
envelope_rg	31.05 Å
shape_rg	31.47 Å
total_rg	31.89 Å
total_atoms	7385
n_residues	924
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	108.8 Å
rg_real	32.03 Å
rg_real_error	0.90 Å
i0_real	3.2440e+08
i0_real_error	5.4930e+06
rg_reciprocal	32.03 Å
i0_reciprocal	324400000.0000
total_estimate	0.6650
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	37.7 Å
skewness	0.388
kurtosis	-0.202
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	41140000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 0.096; Positv: 1.000; Valcen: 0.993; Smooth: 0.897

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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	8088

GLKTAQKTLFPLRSIDDVVRLFAAELGREEPDLVLLSLVLGFVEHFLAVNRVIPTNVPELTFQPSPAPDPPGGLTYFPVADLSIIAALYARFTAQIRGAVDLSLYPREGGVSSRELVKKVSDVIWNSLSRSYFKDRAHIQSLFSFITGTKLDSSGVAFAVVGACQALGLRDVHLALSEDHAWVVFGPNGEQTAEVTWHGKGNEDRRGQTVNAGVAERSWLYLKGSYMRCDRKMEVAFMVCAINPSIDLHTDSLELLQLQQKLLWLLYDLGHLERYPMALGNLADLEELEPTPGRPDPLTLYHKGIASAKTYYRDEHIYPYIYLAGYHCRNRNVREALQAWADTATVIQDYNYCREDEEIYKEFFEVANDVIPNLLKEAASLLEAGEERPGEQSQGTQSQGSALQDPECFAHLLRFYDGICKWEEGSPTPVLHVGWATFLVQSLGRFEGQVRQKVRITFQSEKMKGMKELLVATKINSSAIKLQLTAQS

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	6

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	nat
entity_count	2

Entity 5 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	565

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6. Citations (1)

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length_a	58.869 Å
length_b	86.732 Å
length_c	202.742 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	1.800 Å
resolution_low	48.760 Å
r_factor	0.1692
r_work	0.1677
r_free	0.1983

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