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9q4m

;Structure of human neuronal nitric oxide synthase R354A/G357D mutant 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: 152.1 Å Quality: GOOD

SAXS Profile

SAXS profile for 9q4m

P(r) Distribution

P(r) distribution for 9q4m
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1. Structure Basics

entry_id9q4m
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-(3-fluoroazetidin-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_guinier44.87 Å
rg_electron45.07 Å
i01101410000.00
molecular_weight184090.0 kDa
excluded_volume178740 ų
envelope_volume324710 ų
shell_volume60661 ų
envelope_diameter149.5 Å
shell_rg48.83 Å
envelope_rg44.40 Å
shape_rg45.12 Å
total_rg45.11 Å
total_atoms13926
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)

dmax152.1 Å
rg_real45.07 Å
rg_real_error1.73 Å
i0_real1.1010e+09
i0_real_error2.1150e+07
rg_reciprocal44.88 Å
i0_reciprocal1101000000.0000
total_estimate0.8631
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary39.1 Å
skewness0.365
kurtosis-0.640
angular_range— – 0.1750 Å−1
current_alpha0.0000
highest_alpha129300000.0000
n_real_points36
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.829; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.832; Smooth: 0.897
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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)