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9q52

;Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine ;

Method: X-RAY DIFFRACTION Dmax: 143.0 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q52

P(r) Distribution

P(r) distribution for 9q52
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1. Structure Basics

entry_id9q52
deposition_date2025-08-20
title;Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine ;
keywords;nitric oxide synthase inhibitor binding, OXIDOREDUCTASE-INHIBITOR complex, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex ;; OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier43.29 Å
rg_electron42.99 Å
i01044090000.00
molecular_weight177010.0 kDa
excluded_volume170710 ų
envelope_volume305740 ų
shell_volume59134 ų
envelope_diameter150.3 Å
shell_rg47.71 Å
envelope_rg42.84 Å
shape_rg43.03 Å
total_rg43.09 Å
total_atoms13352
n_residues1606
n_harmonics20
q_range— – 0.5000 Å−1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3
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3. P(r) Analysis (GNOM)

dmax143.0 Å
rg_real43.33 Å
rg_real_error1.22 Å
i0_real1.0440e+09
i0_real_error1.9570e+07
rg_reciprocal43.29 Å
i0_reciprocal1044000000.0000
total_estimate0.8826
solution_quality GOOD a GOOD solution
n_peaks1
r_peak_primary39.7 Å
skewness0.284
kurtosis-0.599
angular_range— – 0.1800 Å−1
current_alpha0.0000
highest_alpha133700000.0000
n_real_points37
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.900; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.963; Smooth: 0.806
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4. Crystallography & Experiment

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5. Entities & Polymer Info (10)

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6. Citations (1)

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7. Files & Curves (10)