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

Method: X-RAY DIFFRACTION D_max: 86.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	12oc
deposition_date	2026-04-13
last_revision	2026-04-22
title	Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with ATP
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	26.96 Å
rg_electron	26.17 Å
i0	85946700.00
molecular_weight	73018.0 kDa
excluded_volume	91354 Å³
envelope_volume	111610 Å³
shell_volume	34810 Å³
envelope_diameter	88.9 Å
shell_rg	34.37 Å
envelope_rg	26.37 Å
shape_rg	26.19 Å
total_rg	26.97 Å
total_atoms	5143
n_residues	638
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	86.2 Å
rg_real	26.87 Å
rg_real_error	0.51 Å
i0_real	8.5950e+07
i0_real_error	1.1790e+06
rg_reciprocal	26.90 Å
i0_reciprocal	85950000.0000
total_estimate	0.8929
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.7 Å
skewness	0.289
kurtosis	-0.337
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	25950000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.881; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.960

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	85.260 Å
length_b	85.260 Å
length_c	192.620 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	2.680 Å
resolution_low	48.450 Å
r_factor	0.2354
r_work	0.2330
r_free	0.2826

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

type	polypeptide(L)
strand_id	A,B
atom_count	5143

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

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

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

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	2

fit	/app/data/saxs_computation/2o/12oc/12oc.fit
pddf	/app/data/pr_computation/2o/12oc/12oc.pr.out
profile	/app/data/saxs_computation/2o/12oc/12oc.dat