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9q53

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

Method: X-RAY DIFFRACTION Dmax: 142.3 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q53

P(r) Distribution

P(r) distribution for 9q53
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1. Structure Basics

entry_id9q53
deposition_date2025-08-20
title;Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)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_guinier43.45 Å
rg_electron43.16 Å
i01038780000.00
molecular_weight176730.0 kDa
excluded_volume170520 ų
envelope_volume307820 ų
shell_volume59302 ų
envelope_diameter151.4 Å
shell_rg47.86 Å
envelope_rg43.02 Å
shape_rg43.20 Å
total_rg43.25 Å
total_atoms13328
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)

dmax142.3 Å
rg_real43.50 Å
rg_real_error1.29 Å
i0_real1.0390e+09
i0_real_error2.0620e+07
rg_reciprocal43.45 Å
i0_reciprocal1039000000.0000
total_estimate0.8797
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary39.5 Å
skewness0.286
kurtosis-0.599
angular_range— – 0.1800 Å−1
current_alpha0.0000
highest_alpha131500000.0000
n_real_points37
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.966; Smooth: 0.735
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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)