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10sl

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with Hesperadin

Method: X-RAY DIFFRACTION D_max: 86.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10sl
deposition_date	2026-02-05
last_revision	2026-02-25
title	Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with Hesperadin
keywords	;SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, serine/threonine-protein kinase, 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	27.60 Å
rg_electron	26.64 Å
i0	91226000.00
molecular_weight	76633.0 kDa
excluded_volume	96496 Å³
envelope_volume	118220 Å³
shell_volume	36155 Å³
envelope_diameter	91.0 Å
shell_rg	34.88 Å
envelope_rg	26.86 Å
shape_rg	26.64 Å
total_rg	27.51 Å
total_atoms	5406
n_residues	658
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	86.1 Å
rg_real	27.49 Å
rg_real_error	0.42 Å
i0_real	9.1230e+07
i0_real_error	1.1530e+06
rg_reciprocal	27.53 Å
i0_reciprocal	91230000.0000
total_estimate	0.8984
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	31.7 Å
skewness	0.274
kurtosis	-0.362
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	26540000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.915; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.934

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	Putative rac serine-threonine kinase
formula_weight	41729.3 kDa
mutation	T185I, V227F, N314S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5417

MEKVTKDDFESLDVLGKGSFAYVVLVRRIGTNEYYAMKVVNKQGLLDHNRYRDVFVERNVLSRINHPYLLKLYWTFQSEHKLFFVMEYMPGGDLDKYMNNLPSKQFDLFTAKLYAAEILLALLFLHEHSVIYRDLKPENILLTGDGHCVLADFGLSKDFYNPKEGGDASTKDMRANSFVGSPFYVAPDVLKQSEYTNAVDFWSFGILLYRMLCGRTPFNGKSMREVFDNILYSDLRFPSSVQLPSEAKDLISRLLIKDANRRIKGPEIKAHLFWTGINFDEVMERKVKPPKWVPIPSPEQVMAERAKAEGASTSAKNPGQLVNTPAQSSQLNSRQQQLFTGFSCTADNHLNKNLEHHHHHH

Source

organism	Trypanosoma cruzi
ncbi_taxonomy_id	5693
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
formula_weight	516.7 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	MALONATE ION
formula_weight	102.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	11

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6. Citations (1)

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length_a	86.518 Å
length_b	86.518 Å
length_c	193.041 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.720 Å
resolution_low	48.820 Å
r_factor	0.2254
r_work	0.2231
r_free	0.2689

fit	/app/data/saxs_computation/0s/10sl/10sl.fit
pddf	/app/data/pr_computation/0s/10sl/10sl.pr.out
profile	/app/data/saxs_computation/0s/10sl/10sl.dat

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with Hesperadin

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