SAXSdb — 2q4i

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

Allene oxide cyclase 2

Arabidopsis thaliana

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 3	water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	AOC2_ARATH
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–193； UniProt 62–253 Author chain B； PDBConstruct 2–193； UniProt 62–253 Author chain C； PDBConstruct 2–193； UniProt 62–253

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	2q4i
Deposition date deposition_date	2007-05-31
Structure title title	Ensemble refinement of the protein crystal structure of allene oxide cyclase from Arabidopsis thaliana At3g25770
Keywords keywords	;Ensemble Refinement, Refinement Methodology Development, AT3G25770, jasmonic acid biosynthesis, plant protein, Structural Genomics, Protein Structure Initiative, PSI, Center for Eukaryotic Structural Genomics, CESG, ISOMERASE ;; ISOMERASE
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.

2q4i__assembly_1__model_1

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

Download this curve (.dat)

2q4i__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

2q4i__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	23.42 Å
Rg (electron density)	22.34 Å
Total Rg	23.50 Å
Atom count	4092
Residues	519
Excluded volume	73815 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2q4i__assembly_1__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	2	`2q4i__assembly_1__model_2`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	3	`2q4i__assembly_1__model_3`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	4	`2q4i__assembly_1__model_4`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	5	`2q4i__assembly_1__model_5`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	6	`2q4i__assembly_1__model_6`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	7	`2q4i__assembly_1__model_7`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download
1	8	`2q4i__assembly_1__model_8`	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 (2)

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6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d2q4ia_
Class class	b — All beta proteins
Fold Fold fold	b.159 — AOC barrel-like
Superfamily Superfamily superfamily	b.159.1 — Allene oxide cyclase-like
Family Family family	b.159.1.1 — Allene oxide cyclase-like

Domain ID domain_id	d2q4ib_
Class class	b — All beta proteins
Fold Fold fold	b.159 — AOC barrel-like
Superfamily Superfamily superfamily	b.159.1 — Allene oxide cyclase-like
Family Family family	b.159.1.1 — Allene oxide cyclase-like

Domain ID domain_id	d2q4ic_
Class class	b — All beta proteins
Fold Fold fold	b.159 — AOC barrel-like
Superfamily Superfamily superfamily	b.159.1 — Allene oxide cyclase-like
Family Family family	b.159.1.1 — Allene oxide cyclase-like

CATH v4.4 (3 domains)

Domain ID domain_id	2q4iA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	480 — AOC barrel-like
Homologous superfamily homologous superfamily	10 — Allene oxide cyclase-like

Domain ID domain_id	2q4iB00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	480 — AOC barrel-like
Homologous superfamily homologous superfamily	10 — Allene oxide cyclase-like

Domain ID domain_id	2q4iC00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	480 — AOC barrel-like
Homologous superfamily homologous superfamily	10 — Allene oxide cyclase-like

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Unit-cell length a length_a	64.412 Å
Unit-cell length b length_b	100.013 Å
Unit-cell length c length_c	105.386 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 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.710 Å
Low-resolution limit resolution_low	48.166 Å
R factor r_factor	0.1320
R_work r_work	0.1320
R_free r_free	0.1720

Description description	Allene oxide cyclase 2
Molecular weight formula_weight	21299.9 kDa
EC 编号 ec_number	5.3.99.6
Source method src_method	man
Copy count entity_count	3

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	38664

Ensemble refinement of the protein crystal structure of allene oxide cyclase from Arabidopsis thaliana At3g25770

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

Allene oxide cyclase 2

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

2q4i__assembly_1__model_1

2q4i__assembly_1__model_1 | I(q)

2q4i__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

5. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 water

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)

Source organism organism	Arabidopsis thaliana
Common name common_name	thale cress
NCBI taxonomy ID ncbi_taxonomy_id	3702
Host organism host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	741

Ensemble refinement of the protein crystal structure of allene oxide cyclase from Arabidopsis thaliana At3g25770

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

Allene oxide cyclase 2

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

2q4i__assembly_1__model_1

2q4i__assembly_1__model_1 | I(q)

2q4i__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

5. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 water

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)