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9qpu

;Structure of human butyrylcholinesterase inhibited by the Ellman's reaction product, 2-[(3-carboxy-4-nitrophenyl)disulfanyl]ethyl-trimethylazanium ;

Method: X-RAY DIFFRACTION Dmax: 76.5 Å Quality: GOOD

SAXS Profile

SAXS profile for 9qpu

P(r) Distribution

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

entry_id9qpu
deposition_date2025-03-29
title;Structure of human butyrylcholinesterase inhibited by the Ellman's reaction product, 2-[(3-carboxy-4-nitrophenyl)disulfanyl]ethyl-trimethylazanium ;
keywordsButyrylcholinesterase, complex, inhibitor, Ellman, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION
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Download Data

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2. SAXS Parameters (CRYSOL)

rg_guinier24.28 Å
rg_electron23.18 Å
i0126235000.00
molecular_weight59632.0 kDa
excluded_volume57830 ų
envelope_volume92847 ų
shell_volume31878 ų
envelope_diameter79.0 Å
shell_rg31.78 Å
envelope_rg23.57 Å
shape_rg23.12 Å
total_rg23.96 Å
total_atoms4498
n_residues527
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)

dmax76.5 Å
rg_real24.12 Å
rg_real_error0.39 Å
i0_real1.2620e+08
i0_real_error1.7830e+06
rg_reciprocal24.16 Å
i0_reciprocal126200000.0000
total_estimate0.8942
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary30.3 Å
skewness0.172
kurtosis-0.426
angular_range— – 0.3250 Å−1
current_alpha0.0000
highest_alpha29230000.0000
n_real_points64
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.957
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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)