Download MendeleyStructure of a mutant (PaDa-I) unspecific peroxygenase from Agrocybe aegerita
Liu, W., Zhang, J., Zhang, W.To be published.
9J1Q | pdb_00009j1q
Structure of a mutant (PaDa-I) unspecific peroxygenase from Agrocybe aegerita
- PDB DOI: https://doi.org/10.2210/pdb9J1Q/pdb
- Classification: METAL BINDING PROTEIN
- Organism(s): Cyclocybe aegerita
- Expression System: Komagataella pastoris
- Mutation(s): No
- Deposited: 2024-08-05 Released: 2025-08-13
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.34 Å
- R-Value Free: 0.173 (Depositor), 0.179 (DCC)
- R-Value Work: 0.155 (Depositor), 0.172 (DCC)
- R-Value Observed: 0.156 (Depositor)
Starting Model: in silico
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This is version 1.0 of the entry. See complete history.
Literature
Macromolecules
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(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Aromatic peroxygenase | 323 | Cyclocybe aegerita | Mutation(s): 0 Gene Names: APO1 EC: 1.11.2.1 |  | |
UniProt | |||||
Find proteins for B9W4V6 (Cyclocybe aegerita) Explore B9W4V6 Go to UniProtKB: B9W4V6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B9W4V6 | ||||
Glycosylation | |||||
| Glycosylation Sites: 3 | |||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM (Subject of Investigation/LOI) Query on HEM | D [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| NAG (Subject of Investigation/LOI) Query on NAG | C [auth A], E [auth A], F [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| MG (Subject of Investigation/LOI) Query on MG | B [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.34 Å
- R-Value Free: 0.173 (Depositor), 0.179 (DCC)
- R-Value Work: 0.155 (Depositor), 0.172 (DCC)
- R-Value Observed: 0.156 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 50.79 | α = 90 |
| b = 57.73 | β = 105.95 |
| c = 58.77 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| Aimless | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-08-13
Type: Initial release
