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9wwf

Crystal structure of human tyrosylprotein sulfotransferase 2 (TPST2) in Mn2+-bound state

Method: X-RAY DIFFRACTION D_max: 71.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wwf
deposition_date	2025-09-23
last_revision	2025-12-31
title	Crystal structure of human tyrosylprotein sulfotransferase 2 (TPST2) in Mn2+-bound state
keywords	TPST2, Sulfotransferase, Mn, METAL BINDING PROTEIN; METAL BINDING PROTEIN
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	20.61 Å
rg_electron	19.60 Å
i0	20194900.00
molecular_weight	34019.0 kDa
excluded_volume	42545 Å³
envelope_volume	48568 Å³
shell_volume	20835 Å³
envelope_diameter	73.5 Å
shell_rg	26.15 Å
envelope_rg	19.93 Å
shape_rg	19.63 Å
total_rg	20.40 Å
total_atoms	2403
n_residues	303
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	71.8 Å
rg_real	20.56 Å
rg_real_error	0.53 Å
i0_real	2.0190e+07
i0_real_error	2.5340e+05
rg_reciprocal	20.57 Å
i0_reciprocal	20190000.0000
total_estimate	0.7874
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.9 Å
skewness	0.317
kurtosis	-0.206
angular_range	— – 0.3850 Å⁻¹
current_alpha	0.0000
highest_alpha	4592000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.748; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Protein-tyrosine sulfotransferase 2
formula_weight	35957.7 kDa
ec_number	2.8.2.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2713

GAMGSGAMRPEQEELVMVGTNHVEYRYGKAMPLIFVGGVPRSGTTLMRAMLDAHPEVRCGEETRIIPRVLAMRQAWSKSGREKLRLDEAGVTDEVLDAAMQAFILEVIAKHGEPARVLCNKDPFTLKSSVYLSRLFPNSKFLLMVRDGRASVHSMITRKVTIAGFDLSSYRDCLTKWNKAIEVMYAQCMEVGKEKCLPVYYEQLVLHPRRSLKLILDFLGIAWSDAVLHHEDLIGKPGGVSLSKIERSTDQVIKPVNLEALSKWTGHIPGDVVRDMAQIAPMLAQLGYDPYANPPNYGNPDPFVINNTQRVLKGDYKTPANL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	ADENOSINE-3'-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	285

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6. Citations (1)

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length_a	102.817 Å
length_b	102.817 Å
length_c	103.115 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 2 2
int_tables_number	95
crystal_system	tetragonal

resolution	2.000 Å
resolution_low	46.090 Å
r_factor	0.1853
r_work	0.1832
r_free	0.2255

fit	/app/data/saxs_computation/ww/9wwf/9wwf.fit
pddf	/app/data/pr_computation/ww/9wwf/9wwf.pr.out
profile	/app/data/saxs_computation/ww/9wwf/9wwf.dat