SAXSdb — 1v47

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1. Protein Identity and Related Structures Protein Identity & Related Structures

ATP sulfurylase

Thermus thermophilus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 2	ZINC ION × 2 CHLORIDE ION × 5 SODIUM ION × 4 ADENOSINE-5'-PHOSPHOSULFATE × 2 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q5SKH7_THET8
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–349； UniProt 1–349 Author chain B； PDBConstruct 1–349； UniProt 1–349

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1v47
Deposition date deposition_date	2003-11-11
Structure title title	Crystal structure of ATP sulfurylase from Thermus thermophillus HB8 in complex with APS
Keywords keywords	product binding complex, zinc, RIKEN Structural Genomics/Proteomics Initiative, RSGI, Structural Genomics, TRANSFERASE; TRANSFERASE
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

1v47__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

1v47__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

1v47__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	30.25 Å
Rg (electron density)	30.14 Å
Total Rg	30.62 Å
Atom count	5447
Residues	689
Excluded volume	97298 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`1v47__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	ATP sulfurylase
Molecular weight formula_weight	38898.0 kDa
EC 编号 ec_number	2.7.7.4
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	5611

MVETLPALEIGEDERLDLENLATGAFFPVKGFMTREEALSVAHEMRLPTGEVWTIPILLQFREKPRVGPGNTVALLHGGERVALLHVAEAYELDLEALARAVFGTDSETHPGVARLYGKGPYALAGRVEVLKPRPRTPLEKTPEEVRAFFRQRGWRKVVAFQTRNAPHRAHEYLIRLGLELADGVLVHPILGAKKPDDFPTEVIVEAYQALIRDFLPQERVAFFGLATPMRYAGPKEAVFHALVRKNFGATHFLVGRDHAGVGDFYDPYAAHRIFDRLPPLGIEIVKVGAVFHCPLCGGIASERTCPEGHREKRTAISMTKVRALLREGKAPPSELVRPELLPILRRGV

Source Source

Source organism organism	Thermus thermophilus
NCBI taxonomy ID ncbi_taxonomy_id	274
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 4 Entity 4 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 non-polymer

Description description	ADENOSINE-5'-PHOSPHOSULFATE
Molecular weight formula_weight	427.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	164

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6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d1v47a1
Class class	b — All beta proteins
Fold Fold fold	b.122 — PUA domain-like
Superfamily Superfamily superfamily	b.122.1 — PUA domain-like
Family Family family	b.122.1.3 — ATP sulfurylase N-terminal domain

Domain ID domain_id	d1v47a2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.26 — Adenine nucleotide alpha hydrolase-like
Superfamily Superfamily superfamily	c.26.1 — Nucleotidylyl transferase
Family Family family	c.26.1.5 — ATP sulfurylase catalytic domain

Domain ID domain_id	d1v47b1
Class class	b — All beta proteins
Fold Fold fold	b.122 — PUA domain-like
Superfamily Superfamily superfamily	b.122.1 — PUA domain-like
Family Family family	b.122.1.3 — ATP sulfurylase N-terminal domain

Domain ID domain_id	d1v47b2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.26 — Adenine nucleotide alpha hydrolase-like
Superfamily Superfamily superfamily	c.26.1 — Nucleotidylyl transferase
Family Family family	c.26.1.5 — ATP sulfurylase catalytic domain

CATH v4.4 (4 domains)

Domain ID domain_id	1v47A01
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	400 — Sulfate adenylyltransferase
Homologous superfamily homologous superfamily	10 — Sulfate adenylyltransferase

Domain ID domain_id	1v47A02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	620 — HUPs

Domain ID domain_id	1v47B01
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	400 — Sulfate adenylyltransferase
Homologous superfamily homologous superfamily	10 — Sulfate adenylyltransferase

Domain ID domain_id	1v47B02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	620 — HUPs

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Unit-cell length a length_a	68.858 Å
Unit-cell length b length_b	61.254 Å
Unit-cell length c length_c	128.665 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	95.43 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	2.490 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.2260
R_work r_work	0.2190
R_free r_free	0.2690

Crystal structure of ATP sulfurylase from Thermus thermophillus HB8 in complex with APS

1. Protein Identity and Related Structures Protein Identity & Related Structures

ATP sulfurylase

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

1v47__assembly_1__model_1

1v47__assembly_1__model_1 | I(q)

1v47__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (2)

Crystal structure of ATP sulfurylase from Thermus thermophillus HB8 in complex with APS

1. Protein Identity and Related Structures Protein Identity & Related Structures

ATP sulfurylase

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

1v47__assembly_1__model_1

1v47__assembly_1__model_1 | I(q)

1v47__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (2)