SAXSdb — 3lz9

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

Aristolochene synthase

Nicotiana tabacum

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate × 1 MAGNESIUM ION × 3 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	5EAS_TOBAC
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–550； UniProt 1–548

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	3lz9
Deposition date deposition_date	2010-03-01
Structure title title	The Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate
Keywords keywords	;plant terpenoid cyclase, 5-epi-aristolochene synthase, lyase, metal-binding domain, (2-trans, 6-trans)-2-fluorofarnesyl diphosphate, Cytoplasm, Magnesium, Metal-binding ;; 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.

3lz9__assembly_1__model_1

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

Download this curve (.dat)

3lz9__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3lz9__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	25.28 Å
Rg (electron density)	24.12 Å
Total Rg	25.05 Å
Atom count	4306
Residues	527
Excluded volume	77044 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3lz9__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 (4)

Entity 1 Entity 1 polymer

Description description	Aristolochene synthase
Molecular weight formula_weight	63209.8 kDa
EC 编号 ec_number	4.2.3.9
Mutation mutation	A274T, V372I, Y406L, V516I
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	4423

GSMASAAVANYEEEIVRPVADFSPSLWGDQFLSFSIKNQVAEKYAKEIEALKEQTRNMLLATGMKLADTLNLIDTIERLGISYHFEKEIDDILDQIYNQNSNCNDLCTSALQFRLLRQHGFNISPEIFSKFQDENGKFKESLASDVLGLLNLYEASHVRTHADDILEDALAFSTIHLESAAPHLKSPLREQVTHALEQCLHKGVPRVETRFFISSIYDKEQSKNNVLLRFAKLDFNLLQMLHKQELAQVSRWWKDLDFVTTLPYARDRVVECYFWTLGVYFEPQYSQARVMLVKTISMISIVDDTFDAYGTVKELEAYTDAIQRWDINEIDRLPDYMKISYKAILDLYKDYEKELSSAGRSHIVCHAIERMKEIVRNYNVESTWFIEGYTPPVSEYLSNALATTTYYLLATTSYLGMKSATEQDFEWLSKNPKILEASVIICRVIDDTATYEVEKSRGQIATGIECCMRDYGISTKEAMAKFQNMAETAWKDINEGLLRPTPVSTEFLTPILNLARIIEVTYIHNLDGYTHPEKVLKPHIINLLVDSIKI

Source Source

Source organism organism	Nicotiana tabacum
Common name common_name	American tobacco,tobacco
NCBI taxonomy ID ncbi_taxonomy_id	4097
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	(2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
Molecular weight formula_weight	400.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 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	117

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6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3lz9a1
Class class	a — All alpha proteins
Fold Fold fold	a.102 — alpha/alpha toroid
Superfamily Superfamily superfamily	a.102.4 — Terpenoid cyclases/Protein prenyltransferases
Family Family family	a.102.4.0 — automated matches

Domain ID domain_id	d3lz9a2
Class class	a — All alpha proteins
Fold Fold fold	a.128 — Terpenoid synthases
Superfamily Superfamily superfamily	a.128.1 — Terpenoid synthases
Family Family family	a.128.1.3 — Terpenoid cyclase C-terminal domain

CATH v4.4 (2 domains)

Domain ID domain_id	3lz9A01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	600 — Farnesyl Diphosphate Synthase
Homologous superfamily homologous superfamily	10 — Farnesyl Diphosphate Synthase

Domain ID domain_id	3lz9A02
Class class	1 — Mainly Alpha
Architecture architecture	50 — Alpha/alpha barrel
Topology topology	10 — Glycosyltransferase
Homologous superfamily homologous superfamily	130 — Terpene synthase, N-terminal domain

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Unit-cell length a length_a	126.330 Å
Unit-cell length b length_b	126.330 Å
Unit-cell length c length_c	121.910 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 41 21 2
Space-group number int_tables_number	92
Crystal system crystal_system	—

Resolution resolution	2.280 Å
Low-resolution limit resolution_low	50.000 Å
R factor r_factor	—
R_work r_work	0.2430
R_free r_free	0.2460

The Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate

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

Aristolochene synthase

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

3lz9__assembly_1__model_1

3lz9__assembly_1__model_1 | I(q)

3lz9__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 (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)

The Crystal Structure of 5-epi-aristolochene synthase M4 mutant complexed with (2-trans,6-trans)-2-fluorofarnesyl diphosphate

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

Aristolochene synthase

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

3lz9__assembly_1__model_1

3lz9__assembly_1__model_1 | I(q)

3lz9__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 (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)