SAXSdb — 5bwe

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

benzylsuccinate synthase alpha chain

Thauera aromatica

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	benzylsuccinate synthase beta chain × 2 （O68396） benzylsuccinate synthase gamma chain × 2 （O68394） FUMARIC ACID × 2 TOLUENE × 2 IRON/SULFUR CLUSTER × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 3	benzylsuccinate synthase beta chain × 1 （O68396） benzylsuccinate synthase gamma chain × 1 （O68394） FUMARIC ACID × 1 TOLUENE × 1 IRON/SULFUR CLUSTER × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 3	benzylsuccinate synthase beta chain × 1 （O68396） benzylsuccinate synthase gamma chain × 1 （O68394） FUMARIC ACID × 1 TOLUENE × 1 IRON/SULFUR CLUSTER × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	O68395_THAAR
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–864； UniProt 1–864 Author chain D； PDBConstruct 1–864； UniProt 1–864

benzylsuccinate synthase beta chain

Thauera aromatica

UniProt O68396

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	benzylsuccinate synthase alpha chain × 2 （O68395） benzylsuccinate synthase gamma chain × 2 （O68394） FUMARIC ACID × 2 TOLUENE × 2 IRON/SULFUR CLUSTER × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 3	benzylsuccinate synthase alpha chain × 1 （O68395） benzylsuccinate synthase gamma chain × 1 （O68394） FUMARIC ACID × 1 TOLUENE × 1 IRON/SULFUR CLUSTER × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 3	benzylsuccinate synthase alpha chain × 1 （O68395） benzylsuccinate synthase gamma chain × 1 （O68394） FUMARIC ACID × 1 TOLUENE × 1 IRON/SULFUR CLUSTER × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	O68396_THAAR
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–81； UniProt 1–81 Author chain F； PDBConstruct 1–81； UniProt 1–81

benzylsuccinate synthase gamma chain

Thauera aromatica

UniProt O68394

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	benzylsuccinate synthase alpha chain × 2 （O68395） benzylsuccinate synthase beta chain × 2 （O68396） FUMARIC ACID × 2 TOLUENE × 2 IRON/SULFUR CLUSTER × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 3	benzylsuccinate synthase alpha chain × 1 （O68395） benzylsuccinate synthase beta chain × 1 （O68396） FUMARIC ACID × 1 TOLUENE × 1 IRON/SULFUR CLUSTER × 1	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 3	benzylsuccinate synthase alpha chain × 1 （O68395） benzylsuccinate synthase beta chain × 1 （O68396） FUMARIC ACID × 1 TOLUENE × 1 IRON/SULFUR CLUSTER × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	O68394_THAAR
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–60； UniProt 1–60 Author chain G； PDBConstruct 1–60； UniProt 1–60

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	5bwe
Deposition date deposition_date	2015-06-07
Structure title title	Benzylsuccinate synthase alpha-beta-gamma complex with bound toluene and fumarate
Keywords keywords	radical, complex, LYASE; LYASE
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.

5bwe__assembly_3__model_1

Assembly 3 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

5bwe__assembly_3__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

5bwe__assembly_3__model_1 | P(r) · Pending

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

Rg（Guinier）	28.56 Å
Rg (electron density)	27.69 Å
Total Rg	28.49 Å
Atom count	7698
Residues	963
Excluded volume	136070 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`5bwe__assembly_1__model_1`	hexameric （6）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`5bwe__assembly_2__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`5bwe__assembly_3__model_1`	trimeric （3）	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	benzylsuccinate synthase alpha chain
Molecular weight formula_weight	99117.1 kDa
EC 编号 ec_number	4.1.99.11
Mutation mutation	M789I
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,D
Atom count atom_count	15396

MNDIVSAKVLEYKGKKLNFTPEDPAEETIPADELHEHLQKPSTARTKRLKERCRWKHASAGEFIEKSVTAGIERMRYLTEAHKASEGKPEAIRRALGLANVLNKSTLVLQEDEFIVGYHAEDPNMFPLYPELSHMAVQDYLRSDYSPQPADEAAAINEYWKPHSLQSKCQPYFDPADLGRMYQVSSMEAPSFASGYNSIVPPYETVLEDGLLARIKLAEKHIAEAQADMSTFPWNGTKGLDNIAKIDNWKAMVIACKAVISWARRQGRLCKIVAENFETDPKRQAELLEIADICQRIPAEPCKGLKDAMQAKFFTFLICHAIERYASGYAQKEDTLLWPYYKASVVDKKFQPMSHMDAVELVEMERLKISEHGAGKSRAYREIFPGSNDLFILTVGGTNAKGEDACNDMTDAILEAAKRIRTAEPSIVFRYSKKNREKTLRWVFECIRDGLGYPSIKHDEIGTEQMKEYAKFSLNGNGATDEEAHNWVNVLCMSPGIHGRRKTQKTRSEGGGSIFPAKLLEISLNDGYDWSYADMQLGPKTGDLSSLKSFEDVWEAFRKQYQYAINLCISTKDVSRYFEQRFLQMPFVSAIDDGCMELGMDACALSEQPNGWHNPITTIVAANSLVAIKKLVFEEKKYTLEQLSQALKANWEGFEEMRVDFKRAPKWGNDDDYADGIITRFYEEIIGGEMRKITNYSGGPVMPTGQAVGLYMEVGSRTGPTPDGRFGGEAADDGGISPYMGTDKKGPTAVLRSVSKVQKNQKGNLLNQRLSVPIMRSKHGFEIWNSYIKTWHDLNIDHVQFNVVSTDEMRAAQREPEKHHDLIVRVSGYSARFVDIPTYGQNTIIARQEQDFSASDLEFLNVEISGTGSGSSHHHHHH

Source Source

Source organism organism	Thauera aromatica
NCBI taxonomy ID ncbi_taxonomy_id	59405
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 polymer

Description description	benzylsuccinate synthase beta chain
Molecular weight formula_weight	9303.3 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,F

MEGSNMETGQNLQNQPHTEVGTARPCRSCKWQTPDPTDPHRGQCTANRHAMGGVWKRWLRDVENTTCSRHEEGKLSFRDHV

Source Source

Source organism organism	Thauera aromatica
NCBI taxonomy ID ncbi_taxonomy_id	59405
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 polymer

Description description	benzylsuccinate synthase gamma chain
Molecular weight formula_weight	6865.7 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,G

MGTTTCKQCANFFPVPKDADDYEAGKADCVREKEDEKGKYWLSKPIFENSAQCEAFQTKR

Source Source

Source organism organism	Thauera aromatica
NCBI taxonomy ID ncbi_taxonomy_id	59405
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 4 Entity 4 non-polymer

Description description	FUMARIC ACID
Molecular weight formula_weight	116.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	TOLUENE
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	IRON/SULFUR CLUSTER
Molecular weight formula_weight	351.6 kDa
Source method src_method	syn
Copy count entity_count	2

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6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	5bweB00
Class class	4 — Few Secondary Structures
Architecture architecture	10 — Irregular
Topology topology	490 — High-Potential Iron-Sulfur Protein; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	5bweF00
Class class	4 — Few Secondary Structures
Architecture architecture	10 — Irregular
Topology topology	490 — High-Potential Iron-Sulfur Protein; Chain A
Homologous superfamily homologous superfamily	20 —

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Unit-cell length a length_a	141.534 Å
Unit-cell length b length_b	115.360 Å
Unit-cell length c length_c	121.701 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	8

Space group space_group	P 21 21 2
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	3.300 Å
Low-resolution limit resolution_low	38.270 Å
R factor r_factor	0.2133
R_work r_work	0.2119
R_free r_free	0.2366

Benzylsuccinate synthase alpha-beta-gamma complex with bound toluene and fumarate

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

benzylsuccinate synthase alpha chain

State in the Current Structure

Other States of the Same Protein in the Database

benzylsuccinate synthase beta chain

State in the Current Structure

Other States of the Same Protein in the Database

benzylsuccinate synthase gamma chain

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

5bwe__assembly_3__model_1

5bwe__assembly_3__model_1 | I(q)

5bwe__assembly_3__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 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)

Benzylsuccinate synthase alpha-beta-gamma complex with bound toluene and fumarate

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

benzylsuccinate synthase alpha chain

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

benzylsuccinate synthase beta chain

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

benzylsuccinate synthase gamma chain

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

5bwe__assembly_3__model_1

5bwe__assembly_3__model_1 | I(q)

5bwe__assembly_3__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 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 polymer

Polymer Polymer

Source Source

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)