SAXSdb — 7r3j

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

2-aminobenzoylacetyl-CoA thioesterase

Pseudomonas aeruginosa PAO1

UniProt P20581

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Regulatory protein RhlR × 2 （P54292） FE (III) ION × 4 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide × 2 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PQSE_PSEAE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 18–318； UniProt 1–301 Author chain B； PDBConstruct 18–318； UniProt 1–301

Regulatory protein RhlR

Pseudomonas aeruginosa PAO1

UniProt P54292

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	2-aminobenzoylacetyl-CoA thioesterase × 2 （P20581） FE (III) ION × 4 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide × 2 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	RHLR_PSEAE
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–241； UniProt 1–241 Author chain D； PDBConstruct 1–241； UniProt 1–241

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	7r3j
Deposition date deposition_date	2022-02-07
Structure title title	Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL
Keywords keywords	;QUORUM SENSING, LuxR-type TRANSCRIPTIONAL REGULATOR, PSEUDOMONAS, DNA BINDING PROTEIN, GENE REGULATION, mBTL, rhamnolipid, PQS, TRANSCRIPTION ;; TRANSCRIPTION
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.

7r3j__assembly_1__model_1

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

Download this curve (.dat)

7r3j__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

7r3j__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	35.44 Å
Rg (electron density)	34.93 Å
Total Rg	35.25 Å
Atom count	17135
Residues	1084
Excluded volume	153710 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`7r3j__assembly_1__model_1`	tetrameric （4）	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 (5)

Entity 1 Entity 1 polymer

Description description	2-aminobenzoylacetyl-CoA thioesterase
Molecular weight formula_weight	36428.5 kDa
EC 编号 ec_number	3.1.2.32
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	17159

MGHHHHHHAENLYFQGHMLRLSAPGQLDDDLCLLGDVQVPVFLLRLGEASWALVEGGISRDAELVWADLCRWVADPSQVHYWLITHKHYDHCGLLPYLCPRLPNVQVLASERTCQAWKSESAVRVVERLNRQLLRAEQRLPEACAWDALPVRAVADGEWLELGPRHRLQVIEAHGHSDDHVVFYDVRRRRLFCGDALGEFDEAEGVWRPLVFDDMEAYLESLERLQRLPTLLQLIPGHGGLLRGRLAADGAESAYTECLRLCRRLLWRQSMGESLDELSEELHRAWGGQSVDFLPGELHLGSMRRMLEILSRQALPLD

Source Source

Source organism organism	Pseudomonas aeruginosa PAO1
NCBI taxonomy ID ncbi_taxonomy_id	208964
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Regulatory protein RhlR
Molecular weight formula_weight	27611.6 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

MRNDGGFLLWWDGLRSEMQPIHDSQGVFAVLEKEVRRLGFDYYAYGVRHTIPFTRPKTEVHGTYPKAWLERYQMQNYGAVDPAILNGLRSSEMVVWSDSLFDQSRMLWNEARDWGLCVGATLPIRAPNNLLSVLSVARDQQNISSFEREEIRLRLRCMIELLTQKLTDLEHPMLMSNPVCLSHREREILQWTADGKSSGEIAIILSISESTVNFHHKNIQKKFDAPNKTLAAAYAAALGLI

Source Source

Source organism organism	Pseudomonas aeruginosa PAO1
NCBI taxonomy ID ncbi_taxonomy_id	208964
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	FE (III) ION
Molecular weight formula_weight	55.8 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide
Molecular weight formula_weight	358.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	23

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Unit-cell length a length_a	159.256 Å
Unit-cell length b length_b	159.256 Å
Unit-cell length c length_c	284.100 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	32

Space group space_group	I 4 2 2
Space-group number int_tables_number	97
Crystal system crystal_system	tetragonal

Resolution resolution	3.060 Å
Low-resolution limit resolution_low	47.470 Å
R factor r_factor	0.2700
R_work r_work	0.2690
R_free r_free	0.2893

Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL

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

2-aminobenzoylacetyl-CoA thioesterase

State in the Current Structure

Other States of the Same Protein in the Database

Regulatory protein RhlR

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

7r3j__assembly_1__model_1

7r3j__assembly_1__model_1 | I(q)

7r3j__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 (5)

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 water

7. Citations (1)

Nativ complex of PqsE and RhlR with the synthetic antagonist mBTL

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

2-aminobenzoylacetyl-CoA thioesterase

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Regulatory protein RhlR

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

7r3j__assembly_1__model_1

7r3j__assembly_1__model_1 | I(q)

7r3j__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 (5)

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 water

7. Citations (1)