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9q54

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

Method: X-RAY DIFFRACTION Dmax: 144.2 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q54

P(r) Distribution

P(r) distribution for 9q54
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1. Structure Basics

entry_id9q54
deposition_date2025-08-20
title;Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(3-fluoroazetidin-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_guinier43.41 Å
rg_electron43.13 Å
i01036840000.00
molecular_weight176420.0 kDa
excluded_volume170150 ų
envelope_volume308080 ų
shell_volume59352 ų
envelope_diameter149.8 Å
shell_rg47.80 Å
envelope_rg43.02 Å
shape_rg43.16 Å
total_rg43.23 Å
total_atoms13305
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)

dmax144.2 Å
rg_real43.46 Å
rg_real_error1.71 Å
i0_real1.0370e+09
i0_real_error2.2050e+07
rg_reciprocal43.41 Å
i0_reciprocal1037000000.0000
total_estimate0.8826
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary40.0 Å
skewness0.286
kurtosis-0.598
angular_range— – 0.1800 Å−1
current_alpha0.0000
highest_alpha131300000.0000
n_real_points37
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.891; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.959; Smooth: 0.840
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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)