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9wp1

Structural insights into tyrosine sulfation of CCR5 by human tyrosylprotein sulfotransferase-1

Method: X-RAY DIFFRACTION D_max: 164.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9wp1
deposition_date	2025-09-08
last_revision	2026-06-03
title	Structural insights into tyrosine sulfation of CCR5 by human tyrosylprotein sulfotransferase-1
keywords	sulfotransferase, sulfation, 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	53.97 Å
rg_electron	53.53 Å
i0	942196000.00
molecular_weight	259500.0 kDa
excluded_volume	326050 Å³
envelope_volume	463870 Å³
shell_volume	71886 Å³
envelope_diameter	161.7 Å
shell_rg	58.35 Å
envelope_rg	51.29 Å
shape_rg	53.54 Å
total_rg	53.64 Å
total_atoms	18142
n_residues	2249
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	164.8 Å
rg_real	53.79 Å
rg_real_error	1.53 Å
i0_real	9.4220e+08
i0_real_error	1.6970e+07
rg_reciprocal	54.09 Å
i0_reciprocal	942600000.0000
total_estimate	0.8627
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	90.9 Å
skewness	-0.028
kurtosis	-0.828
angular_range	— – 0.1450 Å⁻¹
current_alpha	0.0000
highest_alpha	22710000.0000
n_real_points	30
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.430

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Protein-tyrosine sulfotransferase 1
formula_weight	31366.8 kDa
ec_number	2.8.2.20
src_method	man
entity_count	8

Polymer

type	polypeptide(L)
strand_id	A,B,C,D,E,F,G,H
atom_count	18142

AYHKDMPLIFIGGVPRSGTTLMRAMLDAHPDIRCGEETRVIPRILALKQMWSRSSKEKIRLDEAGVTDEVLDSAMQAFLLEIIVKHGEPAPYLCNKDPFALKSLTYLSRLFPNAKFLLMVRDGRASVHSMISRKVTIAGFDLNSYRDCLTKWNRAIETMYNQCMEVGYKKCMLVHYEQLVLHPERWMRTLLKFLQIPWNHSVLHHEEMIGKAGGVSLSKVERSTDQVIKPVNVGALSKWVGKIPPDVLQDMAVIAPMLAKLGYDPYANPPNYGKPD

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	C-C chemokine receptor type 5
formula_weight	741.8 kDa
src_method	syn
entity_count	8

Polymer

type	polypeptide(L)
strand_id	L,M,N,O,P,Q,R,S

MDYQVS

Entity 3 non-polymer

description	ADENOSINE-3'-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	8

Entity 5 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

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6. Citations (1)

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length_a	188.914 Å
length_b	189.398 Å
length_c	121.481 Å
angle_alpha	90.00 °
angle_beta	125.98 °
angle_gamma	90.00 °
z_pdb	32

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	3.200 Å
resolution_low	49.210 Å
r_factor	0.2754
r_work	0.2728
r_free	0.3225

fit	/app/data/saxs_computation/wp/9wp1/9wp1.fit
pddf	/app/data/pr_computation/wp/9wp1/9wp1.pr.out
profile	/app/data/saxs_computation/wp/9wp1/9wp1.dat

Structural insights into tyrosine sulfation of CCR5 by human tyrosylprotein sulfotransferase-1

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)