SAXSdb — 4cq7

▼

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

ALLENE OXIDE CYCLASE 2, CHLOROPLASTIC

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	9S,13R-12-OXOPHYTODIENOIC ACID × 2 (4R)-2-METHYLPENTANE-2,4-DIOL × 1 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 13–188； UniProt 78–253 Author chain B； PDBConstruct 13–188； UniProt 78–253 Author chain C； PDBConstruct 13–188； UniProt 78–253

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	4cq7
Deposition date deposition_date	2014-02-11
Structure title title	The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound product - OPDA
Keywords keywords	ISOMERASE, JASMONATES, CYCLIZATION, ALLENE OXIDE, OXYLIPINS; ISOMERASE
Experimental Method method	X-RAY DIFFRACTION

▼

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.

4cq7__assembly_1__model_1

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

Download this curve (.dat)

4cq7__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4cq7__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	23.40 Å
Rg (electron density)	22.29 Å
Total Rg	23.41 Å
Atom count	8213
Residues	519
Excluded volume	74359 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4cq7__assembly_1__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download

▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	ALLENE OXIDE CYCLASE 2, CHLOROPLASTIC
Molecular weight formula_weight	20859.7 kDa
EC 编号 ec_number	5.3.99.6
Source method src_method	man
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	9024

MRGSHHHHHHGSPSKVQELSVYEINELDRHSPKILKNAFSLMFGLGDLVPFTNKLYTGDLKKRVGITAGLCVVIEHVPEKKGERFEATYSFYFGDYGHLSVQGPYLTYEDSFLAITGGAGIFEGAYGQVKLQQLVYPTKLFYTFYLKGLANDLPLELTGTPVPPSKDIEPAPEAKALEPSGVISNYTN

Source Source

Source organism organism	ARABIDOPSIS THALIANA
Common name common_name	THALE CRESS
NCBI taxonomy ID ncbi_taxonomy_id	3702
Host organism host_organism	ESCHERICHIA COLI

Entity 2 Entity 2 non-polymer

Description description	9S,13R-12-OXOPHYTODIENOIC ACID
Molecular weight formula_weight	292.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	(4R)-2-METHYLPENTANE-2,4-DIOL
Molecular weight formula_weight	118.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	767

▼

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d4cq7a_
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	d4cq7b_
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	d4cq7c_
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	4cq7A00
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	4cq7B00
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	4cq7C00
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

▶

Unit-cell length a length_a	64.500 Å
Unit-cell length b length_b	100.400 Å
Unit-cell length c length_c	105.600 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	1.700 Å
Low-resolution limit resolution_low	54.267 Å
R factor r_factor	0.1665
R_work r_work	0.1652
R_free r_free	0.1896

The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound product - OPDA

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

ALLENE OXIDE CYCLASE 2, CHLOROPLASTIC

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

4cq7__assembly_1__model_1

4cq7__assembly_1__model_1 | I(q)

4cq7__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) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)

The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound product - OPDA

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

ALLENE OXIDE CYCLASE 2, CHLOROPLASTIC

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

4cq7__assembly_1__model_1

4cq7__assembly_1__model_1 | I(q)

4cq7__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) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)