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9q4i

;Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine ;

Method: X-RAY DIFFRACTION Dmax: 147.2 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q4i

P(r) Distribution

P(r) distribution for 9q4i
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1. Structure Basics

entry_id9q4i
deposition_date2025-08-20
title;Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(ethyl(methyl)amino)ethyl)-2,3-difluorophenxy)methyl)-4-methylphridin-2-amine ;
keywordsnitric oxide synthase inhibitor binding, OXIDOREDUCTASE-INHIBITOR complex; OXIDOREDUCTASE/INHIBITOR
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier44.55 Å
rg_electron44.74 Å
i01099030000.00
molecular_weight183930.0 kDa
excluded_volume178600 ų
envelope_volume318160 ų
shell_volume59937 ų
envelope_diameter147.9 Å
shell_rg48.57 Å
envelope_rg44.05 Å
shape_rg44.78 Å
total_rg44.78 Å
total_atoms13915
n_residues1660
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)

dmax147.2 Å
rg_real44.74 Å
rg_real_error1.35 Å
i0_real1.0990e+09
i0_real_error1.9080e+07
rg_reciprocal44.55 Å
i0_reciprocal1099000000.0000
total_estimate0.8568
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary37.8 Å
skewness0.363
kurtosis-0.646
angular_range— – 0.1750 Å−1
current_alpha0.0000
highest_alpha118400000.0000
n_real_points36
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.868; Smooth: 0.664
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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

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6. Citations (1)

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7. Files & Curves (10)