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9q4j

;Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)methyl)-4-methylpyridin-2-amine ;

Method: X-RAY DIFFRACTION Dmax: 148.7 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q4j

P(r) Distribution

P(r) distribution for 9q4j
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1. Structure Basics

entry_id9q4j
deposition_date2025-08-20
title;Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain bound with 6-((5-(2-(azetidin-1-yl)ethyl)-2,3-difluorophenxy)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_guinier44.83 Å
rg_electron45.02 Å
i01099390000.00
molecular_weight184020.0 kDa
excluded_volume178720 ų
envelope_volume324490 ų
shell_volume60610 ų
envelope_diameter148.1 Å
shell_rg48.85 Å
envelope_rg44.40 Å
shape_rg45.06 Å
total_rg45.06 Å
total_atoms13922
n_residues1662
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)

dmax148.7 Å
rg_real45.03 Å
rg_real_error1.66 Å
i0_real1.0990e+09
i0_real_error2.4030e+07
rg_reciprocal44.84 Å
i0_reciprocal1099000000.0000
total_estimate0.8589
solution_quality GOOD a GOOD solution
n_peaks1
r_peak_primary38.2 Å
skewness0.361
kurtosis-0.650
angular_range— – 0.1750 Å−1
current_alpha0.0000
highest_alpha125900000.0000
n_real_points36
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.862; Smooth: 0.714
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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)