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10bl

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

Method: X-RAY DIFFRACTION D_max: 101.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	10bl
deposition_date	2026-01-09
last_revision	2026-01-21
title	Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex ADP
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	27.35 Å
rg_electron	26.57 Å
i0	95509400.00
molecular_weight	76826.0 kDa
excluded_volume	96075 Å³
envelope_volume	117680 Å³
shell_volume	36069 Å³
envelope_diameter	90.8 Å
shell_rg	34.73 Å
envelope_rg	26.83 Å
shape_rg	26.57 Å
total_rg	27.36 Å
total_atoms	5404
n_residues	657
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	101.8 Å
rg_real	27.26 Å
rg_real_error	0.83 Å
i0_real	9.5510e+07
i0_real_error	1.4550e+06
rg_reciprocal	27.29 Å
i0_reciprocal	95510000.0000
total_estimate	0.5504
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	31.6 Å
skewness	0.295
kurtosis	-0.331
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	34270000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.598; Stabil: 1.000; Sysdev: 0.127; Positv: 1.000; Valcen: 0.977; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Putative rac serine-threonine kinase
formula_weight	41809.2 kDa
mutation	T185I, V227F, N314S
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	5409

MEKVTKDDFESLDVLGKGSFAYVVLVRRIGTNEYYAMKVVNKQGLLDHNRYRDVFVERNVLSRINHPYLLKLYWTFQSEHKLFFVMEYMPGGDLDKYMNNLPSKQFDLFTAKLYAAEILLALLFLHEHSVIYRDLKPENILLTGDGHCVLADFGLSKDFYNPKEGGDASTKDMRANSFVGSPFYVAPDVLKQSEYTNAVDFWSFGILLYRMLCGRTPFNGKSMREVFDNILYSDLRFPSSVQLPSEAKDLISRLLIKDANRRIKGPEIKAHLFWTGINFDEVMERKVKPPKWVPIPSPEQVMAERAKAEGASTSAKNPGQLVNTPAQSSQLNSRQQQLFTGFSCTADNHLNKNLEHHHHHH

Source

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

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	MALONATE ION
formula_weight	102.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	5

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6. Citations (1)

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length_a	86.173 Å
length_b	86.173 Å
length_c	192.761 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	2.600 Å
resolution_low	48.690 Å
r_factor	0.2172
r_work	0.2146
r_free	0.2650

fit	/app/data/saxs_computation/0b/10bl/10bl.fit
pddf	/app/data/pr_computation/0b/10bl/10bl.pr.out
profile	/app/data/saxs_computation/0b/10bl/10bl.dat