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9q9b

;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment C07 and CX-4945 (Silmitasertib) ;

Method: X-RAY DIFFRACTION D_max: 68.3 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9q9b
deposition_date	2025-02-26
last_revision	2026-01-14
title	;Protein kinase CK2 catalytic subunit alpha' (CSNK2A2 gene product) in complex with F2X-Entry screen fragment C07 and CX-4945 (Silmitasertib) ;
keywords	fragment-based screening, protein kinase CK2, casein kinase II, 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	21.57 Å
rg_electron	20.41 Å
i0	25475800.00
molecular_weight	39552.0 kDa
excluded_volume	49840 Å³
envelope_volume	56770 Å³
shell_volume	22975 Å³
envelope_diameter	69.0 Å
shell_rg	27.40 Å
envelope_rg	20.67 Å
shape_rg	20.42 Å
total_rg	21.29 Å
total_atoms	2796
n_residues	327
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	68.3 Å
rg_real	21.47 Å
rg_real_error	0.30 Å
i0_real	2.5480e+07
i0_real_error	3.1200e+05
rg_reciprocal	21.49 Å
i0_reciprocal	25480000.0000
total_estimate	0.9004
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.232
kurtosis	-0.391
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	7814000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	;Casein kinase II subunit alpha' ;
formula_weight	43432.5 kDa
ec_number	2.7.11.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3085

MGSSHHHHHHSSGLVPRGSHMPGPAAGSRARVYAEVNSLRSREYWDYEAHVPSWGNQDDYQLVRKLGRGKYSEVFEAINITNNERVVVKILKPVKKKKIKREVKILENLRGGTNIIKLIDTVKDPVSKTPALVFEYINNTDFKQLYQILTDFDIRFYMYELLKALDYCHSKGIMHRDVKPHNVMIDHQQKKLRLIDWGLAEFYHPAQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRREPFFHGQDNYDQLVRIAKVLGTEELYGYLKKYHIDLDPHFNDILGQHSRKRWENFIHSENRHLVSPEALDLLDKLLRYDHQQRLTAKEAMEHPYFYPVVKEQSQPSADNAVLSSGLTAAR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	3,4-dihydro-1~{H}-quinolin-2-one
formula_weight	147.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid
formula_weight	349.8 kDa
src_method	nat
entity_count	1

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	280

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6. Citations (1)

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length_a	46.300 Å
length_b	47.600 Å
length_c	50.310 Å
angle_alpha	113.22 °
angle_beta	90.45 °
angle_gamma	90.89 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	1.840 Å
resolution_low	32.960 Å
r_factor	0.1679
r_work	0.1663
r_free	0.2062

fit	/app/data/saxs_computation/q9/9q9b/9q9b.fit
pddf	/app/data/pr_computation/q9/9q9b/9q9b.pr.out
profile	/app/data/saxs_computation/q9/9q9b/9q9b.dat