← Back to search
← Back to search
9r2j

;Crystal structure of human MAO B in complex with (E)-3-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (chalcone inhibitor, 4a) ;

Method: X-RAY DIFFRACTION Dmax: 94.1 Å Quality: EXCELLENT

SAXS Profile

SAXS profile for 9r2j

P(r) Distribution

P(r) distribution for 9r2j
▼

1. Structure Basics

entry_id9r2j
deposition_date2025-04-30
title;Crystal structure of human MAO B in complex with (E)-3-(4-nitrophenyl)-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (chalcone inhibitor, 4a) ;
keywordsmonoamine oxidase, chalcone, neuroprotective drug, FLAVOPROTEIN; FLAVOPROTEIN
methodX-RAY DIFFRACTION
▼

Download Data

▼

2. SAXS Parameters (CRYSOL)

rg_guinier30.39 Å
rg_electron29.76 Å
i0398917000.00
molecular_weight107180.0 kDa
excluded_volume103670 ų
envelope_volume171740 ų
shell_volume45963 ų
envelope_diameter99.7 Å
shell_rg38.75 Å
envelope_rg30.08 Å
shape_rg29.79 Å
total_rg30.25 Å
total_atoms8104
n_residues995
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
▼

3. P(r) Analysis (GNOM)

dmax94.1 Å
rg_real30.26 Å
rg_real_error0.46 Å
i0_real3.9890e+08
i0_real_error6.0800e+06
rg_reciprocal30.32 Å
i0_reciprocal398900000.0000
total_estimate0.9051
solution_quality EXCELLENT a EXCELLENT solution
n_peaks2
r_peak_primary36.2 Å
skewness0.207
kurtosis-0.513
angular_range— – 0.2600 Å−1
current_alpha0.0000
highest_alpha86940000.0000
n_real_points53
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.940; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.946
▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

▶

6. Citations (1)

▶

7. Files & Curves (10)