SAXSdb — 3cr8

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

Sulfate adenylyltransferase, adenylylsulfate kinase

Thiobacillus denitrificans

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 6	water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q3SM86_THIDA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–544； UniProt 1–544 Author chain B； PDBConstruct 1–544； UniProt 1–544 Author chain C； PDBConstruct 1–544； UniProt 1–544

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	3cr8
Deposition date deposition_date	2008-04-04
Structure title title	Hexameric APS kinase from Thiobacillus denitrificans
Keywords keywords	APS kinase, Adenylylsulfate kinase, Transferase, sulfate metabolism, Nucleotide 2 kinase, Nucleotidyltransferase; 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.

3cr8__assembly_1__model_1

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

Download this curve (.dat)

3cr8__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3cr8__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	47.53 Å
Rg (electron density)	46.71 Å
Total Rg	46.96 Å
Atom count	22506
Residues	2958
Excluded volume	400410 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3cr8__assembly_1__model_1`	hexameric （6）	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 (2)

Entity 1 Entity 1 polymer

Description description	Sulfate adenylyltransferase, adenylylsulfate kinase
Molecular weight formula_weight	61638.3 kDa
EC 编号 ec_number	2.7.7.4, 2.7.1.25
Source method src_method	man
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	11339

MVNQLIEPYGGTLVNLIDPEKREALKHEALSLPSLDLDWQQQCELEMLMTGAYSPLTGFMTRAQCARVESAQQLDDGSFWPSPITLTSRDRALADRRPGERLALRDGEGYMLAILTLSDVWKDGERWHLAGEVEGAALPPHPDFVSLRATPAELRALFVRRGWRRIIAWQARQPMHRAQYEFCLKSAIENEANLLLHPQVGGDITEAPAYFGLVRSFLAIRDRFPAATTQLSLLPAPPPEASGRALLLRAIVARNFGCSLLIAGGEHQPDGGDCRRGEDLTQNRVDPSVAERAEKIGVRLIAYPRMVYVEDRAEHLPEAEAPQGARLLTLSGEEFQRRMRAGLKIPEWYSFPEVLAELHRQTPPRERQGFTVFFTGLSGAGKSTLARALAARLMEMGGRCVTLLDGDIVRRHLSSELGFSKAHRDVNVRRIGFVASEITKNRGIAICAPIAPYRQTRRDVRAMIEAVGGFVEIHVATPIETCESRDRKGLYAKARAGLIPEFTGVSDPYEVPETPELAIDTTGLAIDEAVQQILLKLEHEGYLRLEHHHHHH

Source Source

Source organism organism	Thiobacillus denitrificans
Common name common_name	strain ATCC 25259
NCBI taxonomy ID ncbi_taxonomy_id	36861
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	86

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6. Fold Classification (SCOP + CATH) 9 domains

CATH v4.4 (9 domains)

Domain ID domain_id	3cr8A01
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	3cr8A02
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	3cr8A03
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

Domain ID domain_id	3cr8B01
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	3cr8B02
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	3cr8B03
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

Domain ID domain_id	3cr8C01
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	3cr8C02
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	3cr8C03
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

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Unit-cell length a length_a	161.071 Å
Unit-cell length b length_b	227.211 Å
Unit-cell length c length_c	106.766 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	—

Resolution resolution	2.950 Å
Low-resolution limit resolution_low	35.028 Å
R factor r_factor	0.2450
R_work r_work	0.2430
R_free r_free	0.2820

Hexameric APS kinase from Thiobacillus denitrificans

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

Sulfate adenylyltransferase, adenylylsulfate kinase

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

3cr8__assembly_1__model_1

3cr8__assembly_1__model_1 | I(q)

3cr8__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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 water

6. Fold Classification (SCOP + CATH) 9 domains

CATH v4.4 (9 domains)

7. Citations (1)

Hexameric APS kinase from Thiobacillus denitrificans

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

Sulfate adenylyltransferase, adenylylsulfate kinase

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

3cr8__assembly_1__model_1

3cr8__assembly_1__model_1 | I(q)

3cr8__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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 water

6. Fold Classification (SCOP + CATH) 9 domains

CATH v4.4 (9 domains)

7. Citations (1)