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9y8x

OC43 Mpro with EGT710

Method: X-RAY DIFFRACTION D_max: 72.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9y8x
deposition_date	2025-09-11
last_revision	2025-12-24
title	OC43 Mpro with EGT710
keywords	Mpro Covid-19, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	22.26 Å
rg_electron	21.64 Å
i0	34000800.00
molecular_weight	30329.0 kDa
excluded_volume	29456 Å³
envelope_volume	47838 Å³
shell_volume	19385 Å³
envelope_diameter	74.3 Å
shell_rg	27.19 Å
envelope_rg	21.81 Å
shape_rg	21.61 Å
total_rg	22.26 Å
total_atoms	2283
n_residues	297
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	72.9 Å
rg_real	22.36 Å
rg_real_error	0.49 Å
i0_real	3.4000e+07
i0_real_error	4.3310e+05
rg_reciprocal	22.33 Å
i0_reciprocal	34000000.0000
total_estimate	0.8753
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.1 Å
skewness	0.457
kurtosis	-0.431
angular_range	— – 0.3550 Å⁻¹
current_alpha	0.0000
highest_alpha	10290000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.824; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.925; Smooth: 0.976

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	3C-like proteinase
formula_weight	33503.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2359

SGIVKMVNPTSKVEPCVVSVTYGNMTLNGLWLDDKVYCPRHVICSASDMTNPDYTNLLCRVTSSDFTVLFDRLSLTVMSYQMRGCMLVLTVTLQNSRTPKYTFGVVKPGETFTVLAAYNGKPQGAFHVTMRSSYTIKGSFLCGSCGSVGYVIMGDCVKFVYMHQLELSTGCHTGTDFNGDFYGPYKDAQVVQLLIQDYIQSVNFVAWLYAAILNNCNWFVQSDKCSVEDFNVWALSNGFSQVKSDLVIDALASMTGVSLETLLAAIKRLKNGFQGRQIMGSCSFEDELTPSDVYQQLAGIKLQ

Source

organism	Human coronavirus OC43
ncbi_taxonomy_id	31631
host_organism	Escherichia coli

Entity 2 non-polymer

description	(4S)-4-(iminomethyl)-3-(isoquinolin-4-yl)-1-[6-(trifluoromethyl)pyridin-3-yl]imidazolidin-2-one
formula_weight	385.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	70

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6. Citations (1)

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length_a	92.770 Å
length_b	92.770 Å
length_c	69.771 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 2 2
int_tables_number	95
crystal_system	—

resolution	2.120 Å
resolution_low	20.290 Å
r_factor	0.2175
r_work	0.2150
r_free	0.2650

fit	/app/data/saxs_computation/y8/9y8x/9y8x.fit
pddf	/app/data/pr_computation/y8/9y8x/9y8x.pr.out
profile	/app/data/saxs_computation/y8/9y8x/9y8x.dat

OC43 Mpro with EGT710

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction