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9q58

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

Method: X-RAY DIFFRACTION Dmax: 145.7 Å Quality: REASONABLE

SAXS Profile

SAXS profile for 9q58

P(r) Distribution

P(r) distribution for 9q58
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1. Structure Basics

entry_id9q58
deposition_date2025-08-20
title;Structure of human endothelial nitric oxide synthase heme domain bound with 6-((5-(2-(4,4-difluoropiperidin-1-yl)ethyl-2,3-difluorophenoxy)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_guinier43.47 Å
rg_electron43.18 Å
i01037630000.00
molecular_weight176590.0 kDa
excluded_volume170340 ų
envelope_volume307330 ų
shell_volume59208 ų
envelope_diameter149.3 Å
shell_rg47.90 Å
envelope_rg43.01 Å
shape_rg43.22 Å
total_rg43.27 Å
total_atoms13317
n_residues1604
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)

dmax145.7 Å
rg_real43.52 Å
rg_real_error1.53 Å
i0_real1.0380e+09
i0_real_error1.9760e+07
rg_reciprocal43.47 Å
i0_reciprocal1038000000.0000
total_estimate0.6586
solution_quality REASONABLE a REASONABLE solution
n_peaks2
r_peak_primary40.5 Å
skewness0.285
kurtosis-0.604
angular_range— – 0.1800 Å−1
current_alpha0.0000
highest_alpha135300000.0000
n_real_points37
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.880; Stabil: 1.000; Sysdev: 0.032; Positv: 1.000; Valcen: 0.952; Smooth: 0.870
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4. Crystallography & Experiment

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5. Entities & Polymer Info (11)

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6. Citations (1)

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7. Files & Curves (10)