SAXSdb — 7xuq

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

Transcriptional regulator, PadR-like family

Lactococcus lactis subsp. cremoris MG1363

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate × 1 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A2RI36_LACLM
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–117； UniProt 2–116

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	7xuq
Deposition date deposition_date	2022-05-19
Structure title title	Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole
Keywords keywords	triplet photoenzyme, photocatalysis, energy transfer, photocycloaddition, unnatural amino acid, PHOTOSYNTHESIS; PHOTOSYNTHESIS
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.

7xuq__assembly_1__model_1

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

Download this curve (.dat)

7xuq__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

7xuq__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	19.20 Å
Rg (electron density)	18.68 Å
Total Rg	19.39 Å
Atom count	954
Residues	112
Excluded volume	17044 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`7xuq__assembly_1__model_1`	monomeric （1）	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 (3)

Entity 1 Entity 1 polymer

Description description	Transcriptional regulator, PadR-like family
Molecular weight formula_weight	15135.0 kDa
Mutation mutation	M8L, K55D, K59Q, W96L
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	965

MGAEIPKELLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFDRLEQDGIISSYWGDESQGGRRKYYRLTEIGHENMRLAXESLSRVDKIIENLEANKKSEAIKSRGGSGGWSHPQFEK

Source Source

Source organism organism	Lactococcus lactis subsp. cremoris MG1363
NCBI taxonomy ID ncbi_taxonomy_id	416870
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	dimethyl 2-[[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]-2-prop-2-enyl-propanedioate
Molecular weight formula_weight	415.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	11

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Unit-cell length a length_a	68.764 Å
Unit-cell length b length_b	68.764 Å
Unit-cell length c length_c	60.386 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	6

Space group space_group	P 32 1 2
Space-group number int_tables_number	153
Crystal system crystal_system	—

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	59.551 Å
R factor r_factor	0.2194
R_work r_work	0.2180
R_free r_free	0.2441

Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole

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

Transcriptional regulator, PadR-like family

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

7xuq__assembly_1__model_1

7xuq__assembly_1__model_1 | I(q)

7xuq__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 water

7. Citations (1)

Crystal structure of Tpe3.0 complexed with N-Boc-3-alkenylindole

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

Transcriptional regulator, PadR-like family

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

7xuq__assembly_1__model_1

7xuq__assembly_1__model_1 | I(q)

7xuq__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 water

7. Citations (1)