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11uc

Crystal structure of Casein Kinase 2 (CK2) alpha in complex with BMS-595

Method: X-RAY DIFFRACTION D_max: 69.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11uc
deposition_date	2026-03-13
last_revision	2026-06-10
title	Crystal structure of Casein Kinase 2 (CK2) alpha in complex with BMS-595
keywords	KINASE, CSNK2A1, CKII, CK2A1, CKII ALPHA, 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	21.12 Å
rg_electron	20.27 Å
i0	45883900.00
molecular_weight	35727.0 kDa
excluded_volume	34813 Å³
envelope_volume	54968 Å³
shell_volume	22514 Å³
envelope_diameter	71.4 Å
shell_rg	27.07 Å
envelope_rg	20.53 Å
shape_rg	20.26 Å
total_rg	20.93 Å
total_atoms	2712
n_residues	330
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	69.8 Å
rg_real	21.04 Å
rg_real_error	0.43 Å
i0_real	4.5880e+07
i0_real_error	6.2510e+05
rg_reciprocal	21.06 Å
i0_reciprocal	45880000.0000
total_estimate	0.8851
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.263
kurtosis	-0.354
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	12180000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.842; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.978

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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	40066.7 kDa
ec_number	2.7.11.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2997

MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYDQLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	;methyl [4-chloro-3-{[(4S)-3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino}-5-(4-methylpiperazin-1-yl)phenyl]carbamate ;
formula_weight	496.0 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
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	259

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6. Citations (1)

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length_a	48.284 Å
length_b	78.875 Å
length_c	82.073 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	1.962 Å
resolution_low	41.036 Å
r_factor	0.1627
r_work	0.1604
r_free	0.2147

fit	/app/data/saxs_computation/1u/11uc/11uc.fit
pddf	/app/data/pr_computation/1u/11uc/11uc.pr.out
profile	/app/data/saxs_computation/1u/11uc/11uc.dat