9rg3

Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant, in complex with anisole

Method: X-RAY DIFFRACTION

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

Heme-thiolate peroxidase

Candolleomyces aberdarensis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Other combination	Monomer	Protein 1 其他Polymer 2	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 ACETATE ION × 1 PROTOPORPHYRIN IX CONTAINING FE × 1 methoxybenzene × 1 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GLYCEROL × 2 DI(HYDROXYETHYL)ETHER × 1 PHOSPHATE ION × 1 ZINC ION × 9 MAGNESIUM ION × 1 water × 1	Consistent with protein count
2	Other combination	Monomer	Protein 1 其他Polymer 2	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 2 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 ACETATE ION × 1 PROTOPORPHYRIN IX CONTAINING FE × 1 methoxybenzene × 2 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 GLYCEROL × 2 ZINC ION × 7 MAGNESIUM ION × 1 ETHANOL × 1 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	A0A4Q2DF39_9AGAR
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–334； UniProt 46–379 Author chain B； PDBConstruct 1–334； UniProt 46–379

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	9rg3
Deposition date deposition_date	2025-06-05
Last revision last_revision	2026-04-01
Structure title title	Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant, in complex with anisole
Keywords keywords	Peroxygenase, peroxidase, OXIDOREDUCTASE, complex, anisole; OXIDOREDUCTASE
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.

9rg3__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

9rg3__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

9rg3__assembly_2__model_1 | P(r) · Pending

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

Rg（Guinier）	20.51 Å
Rg (electron density)	19.36 Å
Total Rg	20.47 Å
Atom count	2756
Residues	334
Excluded volume	48696 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`9rg3__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`9rg3__assembly_2__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 (14)

Entity 1 Entity 1 polymer

Description description	Heme-thiolate peroxidase
Molecular weight formula_weight	36575.5 kDa
EC 编号 ec_number	1.11.2.1
Mutation mutation	S61A, L79I, A252L
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	5686

LNEVDPPTPPGPLAYNGTKLVHDDAHPFKAPEQGDIRGPCPGLNTLANHGYLPHNGVATPAQIIEAVQEGFNMEHATAIFVTYAAHLVDGNLVTDLLSIGEKTGLTGLDPPAPAIVGGLNTHAVFEGDASMTRADFFFGDNHNFNQTLFDQFVDFSNRFGGGFYNYTVAAELRFQRIQESIATNPQFSFISPRFFTAYAESTFPVNFFVDGRSTEKKLDMEAATSFIRDGKYPQDFHRAAQPSSTEGIDIVLSAHPVAPGENRDGKINNYVPDPTSADFSTFCLLYTNFVNQTIGGLYPNPTGVLRRNLIKNLRFFYSGIADAGCEELFPYGQL

Source Source

Source organism organism	Candolleomyces aberdarensis
NCBI taxonomy ID ncbi_taxonomy_id	2316362
Host organism host_organism	Komagataella phaffii CBS 7435

Entity 2 Entity 2 branched

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	424.4 kDa
Source method src_method	man
Copy count entity_count	4

Entity 3 Entity 3 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	man
Copy count entity_count	3

Entity 4 Entity 4 non-polymer

Description description	ACETATE ION
Molecular weight formula_weight	59.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	PROTOPORPHYRIN IX CONTAINING FE
Molecular weight formula_weight	616.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 non-polymer

Description description	methoxybenzene
Molecular weight formula_weight	108.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 7 Entity 7 non-polymer

Description description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Molecular weight formula_weight	195.2 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 8 Entity 8 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 9 Entity 9 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 10 Entity 10 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 11 Entity 11 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	16

Entity 12 Entity 12 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 13 Entity 13 non-polymer

Description description	ETHANOL
Molecular weight formula_weight	46.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 14 Entity 14 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	130

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Unit-cell length a length_a	75.785 Å
Unit-cell length b length_b	75.785 Å
Unit-cell length c length_c	273.418 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	12

Space group space_group	P 65
Space-group number int_tables_number	170
Crystal system crystal_system	—

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	47.390 Å
R factor r_factor	0.2167
R_work r_work	0.2143
R_free r_free	0.2623

Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant, in complex with anisole

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

Heme-thiolate peroxidase

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

9rg3__assembly_2__model_1

9rg3__assembly_2__model_1 | I(q)

9rg3__assembly_2__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 (14)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 branched

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 non-polymer

Entity 12 Entity 12 non-polymer

Entity 13 Entity 13 non-polymer

Entity 14 Entity 14 water

7. Citations (1)

Unspecific peroxygenase from Psathyrella aberdarensis, Grogu variant, in complex with anisole

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

Heme-thiolate peroxidase

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

9rg3__assembly_2__model_1

9rg3__assembly_2__model_1 | I(q)

9rg3__assembly_2__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 (14)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 branched

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 non-polymer

Entity 12 Entity 12 non-polymer

Entity 13 Entity 13 non-polymer

Entity 14 Entity 14 water

7. Citations (1)