SAXSdb — 3hrq

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

Aflatoxin biosynthesis polyketide synthase

Aspergillus parasiticus

UniProt Q12053

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 2	PALMITIC ACID × 2 water × 2	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	PALMITIC ACID × 1 water × 1	Consistent with protein count
3	Protein monomer	Monomer	Protein 1	PALMITIC ACID × 1 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PKSL1_ASPPA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–357； UniProt 1305–1660 Author chain B； PDBConstruct 2–357； UniProt 1305–1660

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	3hrq
Deposition date deposition_date	2009-06-09
Structure title title	The Product Template Domain from PksA with palmitate bound
Keywords keywords	;hot-dog fold, PksA, polyketide synthase, iterative Type I PKS, aflatoxin, norsolorinic acid, product template domain, Acyltransferase, Multifunctional enzyme, Phosphopantetheine, BIOSYNTHETIC PROTEIN ;; BIOSYNTHETIC PROTEIN
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.

3hrq__assembly_1__model_1

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

Download this curve (.dat)

3hrq__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3hrq__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	30.49 Å
Rg (electron density)	30.49 Å
Total Rg	31.01 Å
Atom count	4997
Residues	636
Excluded volume	88873 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3hrq__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3hrq__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`3hrq__assembly_3__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	Aflatoxin biosynthesis polyketide synthase
Molecular weight formula_weight	39374.7 kDa
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	5455

MEIKTTTTLHRVVEETTKPLGATLVVETDISRKDVNGLARGHLVDGIPLCTPSFYADIAMQVGQYSMQRLRAGHPGAGAIDGLVDVSDMVVDKALVPHGKGPQLLRTTLTMEWPPKAAATTRSAKVKFATYFADGKLDTEHASCTVRFTSDAQLKSLRRSVSEYKTHIRQLHDGHAKGQFMRYNRKTGYKLMSSMARFNPDYMLLDYLVLNEAENEAASGVDFSLGSSEGTFAAHPAHVDAITQVAGFAMNANDNVDIEKQVYVNHGWDSFQIYQPLDNSKSYQVYTKMGQAKENDLVHGDVVVLDGEQIVAFFRGLTLRSVPRGALRVVLQTTVKKADRQLGFKTMPSPPPPTTTM

Source Source

Source organism organism	Aspergillus parasiticus
NCBI taxonomy ID ncbi_taxonomy_id	5067
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	PALMITIC ACID
Molecular weight formula_weight	256.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	458

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6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	3hrqA00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	129 — Thiol Ester Dehydrase; Chain A
Homologous superfamily homologous superfamily	110 — Polyketide synthase dehydratase

Domain ID domain_id	3hrqB00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	129 — Thiol Ester Dehydrase; Chain A
Homologous superfamily homologous superfamily	110 — Polyketide synthase dehydratase

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Unit-cell length a length_a	88.793 Å
Unit-cell length b length_b	91.247 Å
Unit-cell length c length_c	91.233 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 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.800 Å
Low-resolution limit resolution_low	37.080 Å
R factor r_factor	—
R_work r_work	0.2030
R_free r_free	0.2230

The Product Template Domain from PksA with palmitate bound

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

Aflatoxin biosynthesis polyketide 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

3hrq__assembly_1__model_1

3hrq__assembly_1__model_1 | I(q)

3hrq__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

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)

The Product Template Domain from PksA with palmitate bound

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

Aflatoxin biosynthesis polyketide 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

3hrq__assembly_1__model_1

3hrq__assembly_1__model_1 | I(q)

3hrq__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

6. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

7. Citations (1)