SAXSdb — 3fs2

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

2-dehydro-3-deoxyphosphooctonate aldolase

Brucella melitensis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 4	PHOSPHATE ION × 4 TETRAETHYLENE GLYCOL × 6 water × 4	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 2	PHOSPHATE ION × 2 TETRAETHYLENE GLYCOL × 3 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	KDSA_BRUME
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 22–298； UniProt 1–277 Author chain B； PDBConstruct 22–298； UniProt 1–277

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	3fs2
Deposition date deposition_date	2009-01-09
Structure title title	Crystal structure of 2-Dehydro-3-Deoxyphosphooctonate aldolase from Bruciella melitensis at 1.85A resolution
Keywords keywords	;SSGCID, BRUCIELLLA MELITENSIS, DAHP SYNTHETASE I, 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, Cytoplasm, Lipopolysaccharide biosynthesis, Transferase, Structural Genomics, Seattle Structural Genomics Center for Infectious Disease ;; 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.

3fs2__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

3fs2__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3fs2__assembly_2__model_1 | P(r) · Pending

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

Rg（Guinier）	25.05 Å
Rg (electron density)	24.35 Å
Total Rg	25.17 Å
Atom count	3807
Residues	507
Excluded volume	68458 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3fs2__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3fs2__assembly_2__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 (4)

Entity 1 Entity 1 polymer

Description description	2-dehydro-3-deoxyphosphooctonate aldolase
Molecular weight formula_weight	31853.5 kDa
EC 编号 ec_number	2.5.1.55
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	4131

MAHHHHHHMGTLEAQTQGPGSMVTANSTVKVGNVTFSNSAPLALIAGPCQMETRDHAFEMAGRLKEMTDKLGIGLVYKSSFDKANRTSLKAARGIGLEKALEVFSDLKKEYGFPVLTDIHTEEQCAAVAPVVDVLQIPAFLCRQTDLLIAAARTGRVVNVKKGQFLAPWDMKNVLAKITESGNPNVLATERGVSFGYNTLVSDMRALPIMAGLGAPVIFDATHSVQQPGGQGGSTGGQREFVETLARAAVAVGVAGFFIETHEDPDNAPSDGPNMVPIDKMPALLEKLMAFDRIAKAL

Source Source

Source organism organism	Brucella melitensis
NCBI taxonomy ID ncbi_taxonomy_id	29459
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	TETRAETHYLENE GLYCOL
Molecular weight formula_weight	194.2 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	313

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6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3fs2a_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.10 — Aldolase
Family Family family	c.1.10.0 — automated matches

Domain ID domain_id	d3fs2b_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.10 — Aldolase
Family Family family	c.1.10.0 — automated matches

CATH v4.4 (2 domains)

Domain ID domain_id	3fs2A00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	70 — Aldolase class I

Domain ID domain_id	3fs2B00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	70 — Aldolase class I

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Unit-cell length a length_a	121.530 Å
Unit-cell length b length_b	75.640 Å
Unit-cell length c length_c	74.650 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	126.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	1.850 Å
Low-resolution limit resolution_low	19.170 Å
R factor r_factor	0.1790
R_work r_work	0.1760
R_free r_free	0.2220

Crystal structure of 2-Dehydro-3-Deoxyphosphooctonate aldolase from Bruciella melitensis at 1.85A resolution

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

2-dehydro-3-deoxyphosphooctonate aldolase

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

3fs2__assembly_2__model_1

3fs2__assembly_2__model_1 | I(q)

3fs2__assembly_2__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 (4)

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 water

6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. Citations (1)

Crystal structure of 2-Dehydro-3-Deoxyphosphooctonate aldolase from Bruciella melitensis at 1.85A resolution

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

2-dehydro-3-deoxyphosphooctonate aldolase

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

3fs2__assembly_2__model_1

3fs2__assembly_2__model_1 | I(q)

3fs2__assembly_2__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 (4)

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 water

6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. Citations (1)