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9r9e

;Recombinant human butyrylcholinesterase in complex with N-(3-methoxypropyl)-N-{[1-(prop-2-yn-1-yl)pyrrolidin-3-yl]methyl}naphthalene-2-sulfonamide ;

Method: X-RAY DIFFRACTION Dmax: 75.9 Å Quality: GOOD

SAXS Profile

SAXS profile for 9r9e

P(r) Distribution

P(r) distribution for 9r9e

1. Structure Basics

entry_id9r9e
deposition_date2025-05-20
last_revision2025-08-13
title;Recombinant human butyrylcholinesterase in complex with N-(3-methoxypropyl)-N-{[1-(prop-2-yn-1-yl)pyrrolidin-3-yl]methyl}naphthalene-2-sulfonamide ;
keywordsButyrylcholinesterase, inhibitor, complex, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier24.11
rg_electron23.03
i0119570000.00
molecular_weight58382.0 kDa
excluded_volume56823 ų
envelope_volume90613 ų
shell_volume31349 ų
envelope_diameter79.2
shell_rg31.53
envelope_rg23.47
shape_rg22.98
total_rg23.79
total_atoms4421
n_residues526
n_harmonics20
q_range— – 0.5000 −1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3

3. P(r) Analysis (GNOM)

dmax75.9
rg_real23.96
rg_real_error0.32
i0_real1.1960e+08
i0_real_error1.5060e+06
rg_reciprocal24.00
i0_reciprocal119600000.0000
total_estimate0.8950
solution_quality GOOD a GOOD solution
n_peaks2
r_peak_primary30.8
skewness0.180
kurtosis-0.409
angular_range— – 0.3300 −1
current_alpha0.0000
highest_alpha29140000.0000
n_real_points65
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.889; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.971

4. Crystallography & Experiment

5. Entities & Polymer Info (10)

6. Citations (1)

7. Files & Curves (10)