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9q4k

;Structure of human neuronal nitric oxide synthase R354A/G357D mutant 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: 164.5 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q4k

P(r) Distribution

P(r) distribution for 9q4k
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1. Structure Basics

entry_id9q4k
deposition_date2025-08-20
title;Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((2,3-difluoro-5-(2-(piperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-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_guinier47.97 Å
rg_electron48.19 Å
i01097790000.00
molecular_weight184450.0 kDa
excluded_volume179080 ų
envelope_volume329890 ų
shell_volume57474 ų
envelope_diameter167.7 Å
shell_rg51.92 Å
envelope_rg47.01 Å
shape_rg48.21 Å
total_rg48.25 Å
total_atoms13955
n_residues1664
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)

dmax164.5 Å
rg_real48.29 Å
rg_real_error1.82 Å
i0_real1.0980e+09
i0_real_error2.1330e+07
rg_reciprocal47.97 Å
i0_reciprocal1097000000.0000
total_estimate0.8263
solution_quality GOOD a GOOD solution
n_peaks1
r_peak_primary34.9 Å
skewness0.340
kurtosis-0.685
angular_range— – 0.1650 Å−1
current_alpha0.0000
highest_alpha110200000.0000
n_real_points34
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.725; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.805; Smooth: 0.760
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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)