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9sgg

Human UCK1 in complex with NHC and ATP

Method: X-RAY DIFFRACTION D_max: 93.5 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sgg
deposition_date	2025-08-22
last_revision	2026-05-13
title	Human UCK1 in complex with NHC and ATP
keywords	UCK1, UCK, NHC, ATP, TRANSFERASE; TRANSFERASE
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	30.61 Å
rg_electron	29.66 Å
i0	154899000.00
molecular_weight	98564.0 kDa
excluded_volume	123400 Å³
envelope_volume	154830 Å³
shell_volume	42344 Å³
envelope_diameter	94.5 Å
shell_rg	37.88 Å
envelope_rg	29.67 Å
shape_rg	29.66 Å
total_rg	30.39 Å
total_atoms	13868
n_residues	848
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	93.5 Å
rg_real	30.41 Å
rg_real_error	0.49 Å
i0_real	1.5490e+08
i0_real_error	2.2680e+06
rg_reciprocal	30.50 Å
i0_reciprocal	154900000.0000
total_estimate	0.7184
solution_quality	REASONABLE a REASONABLE solution
n_peaks	1
r_peak_primary	43.1 Å
skewness	0.084
kurtosis	-0.539
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	47440000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.934; Stabil: 1.000; Sysdev: 0.193; Positv: 1.000; Valcen: 0.987; Smooth: 0.966

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Uridine-cytidine kinase 1
formula_weight	31481.7 kDa
ec_number	2.7.1.48
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	13986

MASAGGEDCESPAPEADRPHQRPFLIGVSGGTASGKSTVCEKIMELLGQNEVEQRQRKVVILSQDRFYKVLTAEQKAKALKGQYNFDHPDAFDNDLMHRTLKNIVEGKTVEVPTYDFVTHSRLPETTVVYPADVVLFEGILVFYSQEIRDMFHLRLFVDTDSDVRLSRRVLRDVRRGRDLEQILTQYTTFVKPAFEEFCLPTKKYADVIIPRGVDNMVAINLIVQHIQDILNGDICKWHRGGSNGRSYKRTFSEPGDHPGMLTSGKRSHLESSSRPH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	N-hydroxycytidine
formula_weight	259.2 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
formula_weight	506.2 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	3

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	105

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6. Citations (1)

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length_a	64.886 Å
length_b	154.639 Å
length_c	67.568 Å
angle_alpha	90.00 °
angle_beta	98.77 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.396 Å
resolution_low	77.320 Å
r_factor	—
r_work	0.2064
r_free	0.2535

fit	/app/data/saxs_computation/sg/9sgg/9sgg.fit
pddf	/app/data/pr_computation/sg/9sgg/9sgg.pr.out
profile	/app/data/saxs_computation/sg/9sgg/9sgg.dat