SAXSdb — 9z8k

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1. Structure Basics

entry_id	9z8k
deposition_date	2025-11-18
last_revision	2025-11-26
title	Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma brucei
keywords	SSGCID, STRUCTURAL GENOMICS, SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE, AEK1, 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	27.93 Å
rg_electron	26.89 Å
i0	65531500.00
molecular_weight	63556.0 kDa
excluded_volume	79611 Å³
envelope_volume	98417 Å³
shell_volume	30759 Å³
envelope_diameter	97.5 Å
shell_rg	33.74 Å
envelope_rg	26.99 Å
shape_rg	26.89 Å
total_rg	27.60 Å
total_atoms	4445
n_residues	544
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	94.7 Å
rg_real	27.94 Å
rg_real_error	0.68 Å
i0_real	6.5530e+07
i0_real_error	1.1010e+06
rg_reciprocal	27.94 Å
i0_reciprocal	65530000.0000
total_estimate	0.8797
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.9 Å
skewness	0.367
kurtosis	-0.310
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	26300000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.833; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.956

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Serine/threonine-protein kinase
formula_weight	41133.8 kDa
ec_number	2.7.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4605

MEKVTKEDFETIDTLGKGSFAYVVLVRRVGTNNLYAMKVVNKQGLLDHNRCRDVFIERNVLSRINHPFLLKLYWTFQSEHKLFFVMEYMAGGDLDKYMNSVPNKQLDLPTSKLYGAEILMAILTLHEQSVIYRDLKPENILLTGDGHCVLADFGLSKDFYDAKMGENASVTDMRANSFVGSPFYVAPDVLKQREYTNAVDFWSFGILLYRMLCGRTPFSGKNMKEVFDNILYSDLRFPSTVSIPSEAKDLISRLLVKDAAHRIKGPEVKAHPFWTGINFDEVMQKKVKPPRWVPAPSVDKLIAERSAAQSGNNSSKNPAQVVNTPAHSSQLNARQQQLFNGFSCTTDNHLGGGSLEHHHHHH

Source

organism	Trypanosoma brucei brucei TREU927
ncbi_taxonomy_id	185431
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	Serine/threonine-protein kinase
formula_weight	41053.8 kDa
ec_number	2.7.1.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MEKVTKEDFETIDTLGKGSFAYVVLVRRVGTNNLYAMKVVNKQGLLDHNRCRDVFIERNVLSRINHPFLLKLYWTFQSEHKLFFVMEYMAGGDLDKYMNSVPNKQLDLPTSKLYGAEILMAILTLHEQSVIYRDLKPENILLTGDGHCVLADFGLSKDFYDAKMGENASVTDMRANSFVGSPFYVAPDVLKQREYTNAVDFWSFGILLYRMLCGRTPFSGKNMKEVFDNILYSDLRFPSTVSIPSEAKDLISRLLVKDAAHRIKGPEVKAHPFWTGINFDEVMQKKVKPPRWVPAPSVDKLIAERSAAQSGNNSSKNPAQVVNTPAHSSQLNARQQQLFNGFSCTTDNHLGGGSLEHHHHHH

Source

organism	Trypanosoma brucei brucei TREU927
ncbi_taxonomy_id	185431
host_organism	Escherichia coli BL21(DE3)

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	11

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	10

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	150

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6. Citations (1)

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length_a	86.599 Å
length_b	89.098 Å
length_c	201.567 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.050 Å
resolution_low	43.300 Å
r_factor	0.1966
r_work	0.1946
r_free	0.2348

fit	/app/data/saxs_computation/z8/9z8k/9z8k.fit
pddf	/app/data/pr_computation/z8/9z8k/9z8k.pr.out
profile	/app/data/saxs_computation/z8/9z8k/9z8k.dat

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma brucei

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)