SAXSdb — 9uau

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1. Structure Basics

entry_id	9uau
deposition_date	2025-04-01
last_revision	2026-04-08
title	CDK2_LL-DA-3
keywords	cdk2, CELL CYCLE; CELL CYCLE
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	20.92 Å
rg_electron	20.08 Å
i0	37398500.00
molecular_weight	32280.0 kDa
excluded_volume	31656 Å³
envelope_volume	51665 Å³
shell_volume	21565 Å³
envelope_diameter	67.9 Å
shell_rg	26.41 Å
envelope_rg	20.22 Å
shape_rg	20.02 Å
total_rg	20.83 Å
total_atoms	2480
n_residues	303
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	66.5 Å
rg_real	20.85 Å
rg_real_error	0.34 Å
i0_real	3.7400e+07
i0_real_error	4.7390e+05
rg_reciprocal	20.87 Å
i0_reciprocal	37400000.0000
total_estimate	0.8985
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.274
kurtosis	-0.361
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	6914000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.896; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Cyclin-dependent kinase 2
formula_weight	34387.9 kDa
ec_number	2.7.11.22
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2762

GPLGSMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	1-[2-[6-cyano-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxidanylidene-pyrido[2,3-d]pyrimidin-8-yl]ethyl]guanidine
formula_weight	433.5 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	276

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6. Citations (1)

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length_a	53.620 Å
length_b	71.400 Å
length_c	71.840 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.470 Å
resolution_low	50.640 Å
r_factor	0.1877
r_work	0.1861
r_free	0.2188

fit	/app/data/saxs_computation/ua/9uau/9uau.fit
pddf	/app/data/pr_computation/ua/9uau/9uau.pr.out
profile	/app/data/saxs_computation/ua/9uau/9uau.dat

CDK2_LL-DA-3

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