← Back to search

9sal

Crystal structure of SARS-CoV-2 NSP14 in complex with compound 18

Method: X-RAY DIFFRACTION D_max: 97.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9sal
deposition_date	2025-08-07
title	Crystal structure of SARS-CoV-2 NSP14 in complex with compound 18
keywords	NSP14, SARS-CoV-2 NSP14, 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	31.93 Å
rg_electron	31.22 Å
i0	288507000.00
molecular_weight	91593.0 kDa
excluded_volume	88911 Å³
envelope_volume	158620 Å³
shell_volume	41510 Å³
envelope_diameter	104.4 Å
shell_rg	39.04 Å
envelope_rg	30.89 Å
shape_rg	31.19 Å
total_rg	31.76 Å
total_atoms	6882
n_residues	880
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	97.5 Å
rg_real	31.75 Å
rg_real_error	0.68 Å
i0_real	2.8850e+08
i0_real_error	4.8460e+06
rg_reciprocal	31.83 Å
i0_reciprocal	288500000.0000
total_estimate	0.9108
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	42.9 Å
skewness	0.085
kurtosis	-0.648
angular_range	— – 0.2500 Å⁻¹
current_alpha	0.0000
highest_alpha	27940000.0000
n_real_points	51
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.962; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.957

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	Guanine-N7 methyltransferase nsp14
formula_weight	59544.2 kDa
ec_number	2.1.1.56,3.1.13.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6982

AENVTGLFKDCSKVITGLHPTQAPTHLSVDTKFKTEGLCVDIPGIPKDMTYRRLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFAVAGCHATREAVGTNLPLQLGFSTGVNLVAVPTGYVDTPNNTDFSRVSAKPPPGDQFKHLIPLMYKGLPWNVVRIKIVQMLSDTLKNLSDRVVFVLWAHGFELTSMKYFVKIGPERTCCLCDRRATCFSTASDTYACWHHSIGFDYVYNPFMIDVQQWGFTGNLQSNHDLYCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWTIEYPIIGDELKINAACRKVQHMVVKAALLADKFPVLHDIGNPKAIKCVPQADVEWKFYDAQPCSDKAYKIEELFYSYATHSDKFTDGVCLFWNCNVDRYPANSIVCRFDTRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFVNLKQLPFFYYSDSPCESHGKQVVSDIDYVPLKSATCITRCNLGGAVCRHHANEYRLYLDAYNMMISAGFSLWVYKQFDTYNLWNTFTR

Source

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

Entity 2 non-polymer

description	(2~{S},3~{S},4~{R},5~{R})-2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
formula_weight	430.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	7

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	100

▶

6. Citations (1)

▶

length_a	67.689 Å
length_b	101.633 Å
length_c	91.407 Å
angle_alpha	90.00 °
angle_beta	108.57 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	monoclinic

resolution	2.290 Å
resolution_low	43.830 Å
r_factor	0.2032
r_work	0.2026
r_free	0.2256

fit	/app/data/saxs_computation/sa/9sal/9sal.fit
pddf	/app/data/pr_computation/sa/9sal/9sal.pr.out
profile	/app/data/saxs_computation/sa/9sal/9sal.dat