SAXSdb — 1wql

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

iron-sulfur protein large subunit of cumene dioxygenase

Pseudomonas fluorescens

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	ethylbenzene dioxygenase small subunit × 3 （Q51744） FE (II) ION × 3 FE2/S2 (INORGANIC) CLUSTER × 3 OXYGEN MOLECULE × 3 water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q51743_PSEFL
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–459； UniProt 1–459

ethylbenzene dioxygenase small subunit

Pseudomonas fluorescens

UniProt Q51744

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 6	iron-sulfur protein large subunit of cumene dioxygenase × 3 （Q51743） FE (II) ION × 3 FE2/S2 (INORGANIC) CLUSTER × 3 OXYGEN MOLECULE × 3 water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q51744_PSEFL
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–186； UniProt 1–186

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	1wql
Deposition date deposition_date	2004-09-30
Structure title title	Cumene dioxygenase (cumA1A2) from Pseudomonas fluorescens IP01
Keywords keywords	;biphenyl dioxygenase, cumene dioxygenase, naphthalene dioxygenase, polychlorinated biphenyl degradation, Rieske non-heme iron dioxygenase, OXIDOREDUCTASE ;; OXIDOREDUCTASE
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.

1wql__assembly_1__model_1

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

Download this curve (.dat)

1wql__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

1wql__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	35.60 Å
Rg (electron density)	34.76 Å
Total Rg	35.39 Å
Atom count	15003
Residues	1854
Excluded volume	264740 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`1wql__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 (6)

Entity 1 Entity 1 polymer

Description description	iron-sulfur protein large subunit of cumene dioxygenase
Molecular weight formula_weight	52358.0 kDa
EC 编号 ec_number	1.14.12.-
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	5473

MSSIINKEVQEAPLKWVKNWSDEEIKALVDEEKGLLDPRIFSDQDLYEIELERVFARSWLLLGHEGHIPKAGDYLTTYMGEDPVIVVRQKDRSIKVFLNQCRHRGMRIERSDFGNAKSFTCTYHGWAYDTAGNLVNVPYEKEAFCDKKEGDCGFDKADWGPLQARVDTYKGLIFANWDTEAPDLKTYLSDATPYMDVMLDRTEAVTQVITGMQKTVIPCNWKFAAEQFCSDMYHAGTMAHLSGVLSSLPPEMDLSQVKLPSSGNQFRAKWGGHGTGWFNDDFALLQAIMGPKVVDYWTKGPAAERAKERLGKVLPADRMVAQHMTIFPTCSFLPGINTVRTWHPRGPNEIEVWSFIVVDADAPEDIKEEYRRKNIFTFNQGGTYEQDDGENWVEVQRGLRGYKARSRPLCAQMGAGVPNKNNPEFPGKTSYVYSEEAARGFYHHWSRMMSEPSWDTLKS

Source Source

Source organism organism	Pseudomonas fluorescens
NCBI taxonomy ID ncbi_taxonomy_id	294
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 polymer

Description description	ethylbenzene dioxygenase small subunit
Molecular weight formula_weight	21640.4 kDa
EC 编号 ec_number	1.14.12.-
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MTSADLTKPIEWPEMPVSLELQNAVEQFYYREAQLLDYQNYEAWLALLTQDIQYWMPIRTTHTSRNKAMEYVPPGGNAHFDETYESMRARIRARVSGLNWTEDPPSRSRHIVSNVIVRETESAGTLEVSSAFLCYRNRLERMTDIYVGERRDILLRVSDGLGFKIAKRTILLDQSTITANNLSQFF

Source Source

Source organism organism	Pseudomonas fluorescens
NCBI taxonomy ID ncbi_taxonomy_id	294
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 non-polymer

Description description	FE (II) ION
Molecular weight formula_weight	55.8 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	FE2/S2 (INORGANIC) CLUSTER
Molecular weight formula_weight	175.8 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	OXYGEN MOLECULE
Molecular weight formula_weight	32.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	472

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6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d1wqla1
Class class	b — All beta proteins
Fold Fold fold	b.33 — ISP domain
Superfamily Superfamily superfamily	b.33.1 — ISP domain
Family Family family	b.33.1.2 — Ring hydroxylating alpha subunit ISP domain

Domain ID domain_id	d1wqla2
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.129 — TBP-like
Superfamily Superfamily superfamily	d.129.3 — Bet v1-like
Family Family family	d.129.3.3 — Ring hydroxylating alpha subunit catalytic domain

Domain ID domain_id	d1wqlb1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.17 — Cystatin-like
Superfamily Superfamily superfamily	d.17.4 — NTF2-like
Family Family family	d.17.4.4 — Ring hydroxylating beta subunit

CATH v4.4 (3 domains)

Domain ID domain_id	1wqlA01
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	380 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1
Homologous superfamily homologous superfamily	10 — Naphthalene 1,2-dioxygenase Alpha Subunit; Chain A, domain 1

Domain ID domain_id	1wqlA02
Class class	2 — Mainly Beta
Architecture architecture	102 — 3-layer Sandwich
Topology topology	10 — Rieske Iron-sulfur Protein
Homologous superfamily homologous superfamily	10 — Rieske [2Fe-2S] iron-sulphur domain

Domain ID domain_id	1wqlB00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	450 — Nuclear Transport Factor 2; Chain: A,
Homologous superfamily homologous superfamily	50 —

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Unit-cell length a length_a	147.036 Å
Unit-cell length b length_b	147.036 Å
Unit-cell length c length_c	147.036 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	12

Space group space_group	P 21 3
Space-group number int_tables_number	198
Crystal system crystal_system	—

Resolution resolution	2.200 Å
Low-resolution limit resolution_low	19.650 Å
R factor r_factor	0.1730
R_work r_work	0.1730
R_free r_free	0.1960

Cumene dioxygenase (cumA1A2) from Pseudomonas fluorescens IP01

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

iron-sulfur protein large subunit of cumene dioxygenase

State in the Current Structure

Other States of the Same Protein in the Database

ethylbenzene dioxygenase small subunit

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

1wql__assembly_1__model_1

1wql__assembly_1__model_1 | I(q)

1wql__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 polymer

Polymer Polymer

Source Source

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) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)

Cumene dioxygenase (cumA1A2) from Pseudomonas fluorescens IP01

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

iron-sulfur protein large subunit of cumene dioxygenase

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

ethylbenzene dioxygenase small subunit

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

1wql__assembly_1__model_1

1wql__assembly_1__model_1 | I(q)

1wql__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 polymer

Polymer Polymer

Source Source

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) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)