← Back to search
9whe

A novel, covalent and highly synthetically accessible SARS-CoV-2 Mpro chloroacetamide inhibitor

Method: X-RAY DIFFRACTION Dmax: 79.0 Å Quality: REASONABLE

SAXS Profile

SAXS profile for 9whe

P(r) Distribution

P(r) distribution for 9whe

1. Structure Basics

entry_id9whe
deposition_date2025-08-26
titleA novel, covalent and highly synthetically accessible SARS-CoV-2 Mpro chloroacetamide inhibitor
keywordsInhibitor, Complex, Antiviral, Covalent, HYDROLASE; HYDROLASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier22.44
rg_electron21.81
i040125100.00
molecular_weight32557.0 kDa
excluded_volume31359 ų
envelope_volume51387 ų
shell_volume20454 ų
envelope_diameter79.4
shell_rg27.80
envelope_rg22.05
shape_rg21.81
total_rg22.39
total_atoms2447
n_residues305
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)

dmax79.0
rg_real22.54
rg_real_error0.63
i0_real4.0130e+07
i0_real_error5.2270e+05
rg_reciprocal22.52
i0_reciprocal40120000.0000
total_estimate0.6853
solution_quality REASONABLE a REASONABLE solution
n_peaks2
r_peak_primary22.8
skewness0.477
kurtosis-0.352
angular_range— – 0.3550 −1
current_alpha0.0000
highest_alpha14550000.0000
n_real_points67
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.692; Stabil: 1.000; Sysdev: 0.328; Positv: 1.000; Valcen: 0.850; Smooth: 0.998

4. Crystallography & Experiment

5. Entities & Polymer Info (5)

6. Citations (1)

7. Files & Curves (10)