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9vwy

Crystal structure of C270S mutant of Papain-like protease (PLpro) from SARS-CoV-2

Method: X-RAY DIFFRACTION D_max: 92.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9vwy
deposition_date	2025-07-17
last_revision	2025-07-30
title	Crystal structure of C270S mutant of Papain-like protease (PLpro) from SARS-CoV-2
keywords	Cysteine Protease, PLpro, SARS-CoV-2, C270S, VIRAL PROTEIN; VIRAL PROTEIN
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	24.64 Å
rg_electron	23.92 Å
i0	23695100.00
molecular_weight	36598.0 kDa
excluded_volume	45469 Å³
envelope_volume	55618 Å³
shell_volume	21138 Å³
envelope_diameter	96.0 Å
shell_rg	28.86 Å
envelope_rg	24.56 Å
shape_rg	23.80 Å
total_rg	24.88 Å
total_atoms	2558
n_residues	316
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	92.8 Å
rg_real	24.96 Å
rg_real_error	0.95 Å
i0_real	2.3700e+07
i0_real_error	3.6880e+05
rg_reciprocal	24.88 Å
i0_reciprocal	23690000.0000
total_estimate	0.7759
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.668
kurtosis	0.165
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	3889000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.570; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.480; Smooth: 0.892

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Papain-like protease nsp3
formula_weight	35898.7 kDa
ec_number	3.4.19.12,3.4.22.-
mutation	C270S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2964

SHMEVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQSGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFYKENSYTTTI

Source

organism	Severe acute respiratory syndrome coronavirus 2
ncbi_taxonomy_id	2697049
host_organism	Escherichia coli

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	4

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	nat
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	349

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6. Citations (1)

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length_a	81.838 Å
length_b	81.838 Å
length_c	135.256 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	trigonal

resolution	1.830 Å
resolution_low	38.040 Å
r_factor	0.1742
r_work	0.1733
r_free	0.1951

fit	/app/data/saxs_computation/vw/9vwy/9vwy.fit
pddf	/app/data/pr_computation/vw/9vwy/9vwy.pr.out
profile	/app/data/saxs_computation/vw/9vwy/9vwy.dat