← Back to search

9s3n

SARS-CoV-2 nucleocapsid N/C-terminal domain in complex with BCY17628

Method: X-RAY DIFFRACTION D_max: 65.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9s3n
deposition_date	2025-07-24
title	SARS-CoV-2 nucleocapsid N/C-terminal domain in complex with BCY17628
keywords	Hydrolase; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	17.48 Å
rg_electron	16.12 Å
i0	5301010.00
molecular_weight	15917.0 kDa
excluded_volume	19708 Å³
envelope_volume	23479 Å³
shell_volume	13035 Å³
envelope_diameter	64.0 Å
shell_rg	21.37 Å
envelope_rg	16.73 Å
shape_rg	16.00 Å
total_rg	17.45 Å
total_atoms	1124
n_residues	143
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	65.0 Å
rg_real	17.52 Å
rg_real_error	0.52 Å
i0_real	5.3010e+06
i0_real_error	6.8140e+04
rg_reciprocal	17.51 Å
i0_reciprocal	5301000.0000
total_estimate	0.6719
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	21.7 Å
skewness	0.488
kurtosis	0.220
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	977600.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.600; Stabil: 1.000; Sysdev: 0.363; Positv: 1.000; Valcen: 0.847; Smooth: 0.997

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	Nucleoprotein
formula_weight	14238.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B
atom_count	1203

GLPNNTASWFTALTQHGKEDLKFPRGQGVPINTNSSPDDQIGYYRRATRRIRGGDGKMKDLSPRWYFYYLGTGPEAGLPYGANKDGIIWVATEGALNTPKDHIGTRNPANNAAIVLQLPQGTTLPKGFYA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	BCY17628
formula_weight	1952.2 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

ACTTDFCNNRYVVNRCA

Entity 3 non-polymer

description	2,4,6-tris(chloromethyl)-1,3,5-triazine
formula_weight	226.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	79

▶

6. Citations (1)

▶

length_a	91.942 Å
length_b	91.942 Å
length_c	68.564 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	1.930 Å
resolution_low	45.971 Å
r_factor	0.2479
r_work	0.2472
r_free	0.2620

fit	/app/data/saxs_computation/s3/9s3n/9s3n.fit
pddf	/app/data/pr_computation/s3/9s3n/9s3n.pr.out
profile	/app/data/saxs_computation/s3/9s3n/9s3n.dat

SARS-CoV-2 nucleocapsid N/C-terminal domain in complex with BCY17628

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

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)