← Back to search

9ux6

SARS-CoV2 Main protease(Mpro) complexed with RIP1 peptide

Method: X-RAY DIFFRACTION D_max: 120.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9ux6
deposition_date	2025-05-13
last_revision	2026-05-27
title	SARS-CoV2 Main protease(Mpro) complexed with RIP1 peptide
keywords	complex, VIRAL PROTEIN; VIRAL PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	35.04 Å
rg_electron	34.47 Å
i0	286816000.00
molecular_weight	135350.0 kDa
excluded_volume	168880 Å³
envelope_volume	213940 Å³
shell_volume	51548 Å³
envelope_diameter	129.2 Å
shell_rg	41.06 Å
envelope_rg	34.24 Å
shape_rg	34.45 Å
total_rg	34.99 Å
total_atoms	9489
n_residues	1229
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

▼

3. P(r) Analysis (GNOM)

dmax	120.7 Å
rg_real	35.02 Å
rg_real_error	0.93 Å
i0_real	2.8680e+08
i0_real_error	4.3890e+06
rg_reciprocal	35.03 Å
i0_reciprocal	286800000.0000
total_estimate	0.8671
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	42.9 Å
skewness	0.382
kurtosis	-0.159
angular_range	— – 0.2250 Å⁻¹
current_alpha	0.0000
highest_alpha	53700000.0000
n_real_points	46
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.780; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.932

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	3C-like proteinase nsp5
formula_weight	33793.5 kDa
ec_number	3.4.22.69
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	10386

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSAGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

Source

organism	Severe acute respiratory syndrome coronavirus 2
common_name	2019-nCoV, SARS-CoV-2
ncbi_taxonomy_id	2697049
host_organism	Escherichia coli

Entity 2 polymer

description	PRO-SER-LEU-GLN-SER-LYS-LEU-GLN
formula_weight	901.0 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	E,F

PSLQSKLQ

Source

organism	Homo sapiens
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	DI(HYDROXYETHYL)ETHER
formula_weight	106.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	897

▶

6. Citations (1)

▶

length_a	62.570 Å
length_b	66.750 Å
length_c	81.210 Å
angle_alpha	80.67 °
angle_beta	88.50 °
angle_gamma	69.91 °
z_pdb	4

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.950 Å
resolution_low	32.010 Å
r_factor	0.1886
r_work	0.1865
r_free	0.2281

fit	/app/data/saxs_computation/ux/9ux6/9ux6.fit
pddf	/app/data/pr_computation/ux/9ux6/9ux6.pr.out
profile	/app/data/saxs_computation/ux/9ux6/9ux6.dat

SARS-CoV2 Main protease(Mpro) complexed with RIP1 peptide

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)