Download MendeleyStructural insights into the S-lignin O-demethylase SyoA
Harlington, A.C., Shearwin, K.E., Bell, S.G., Whelan, F.To be published.
8U1I
Crystal structure of SyoA bound to 4-methylsyringol
- PDB DOI: https://doi.org/10.2210/pdb8U1I/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Amycolatopsis thermoflava N1165
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2023-09-01 Released: 2024-07-24
- Funding Organization(s): Wine Australia
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.12 Å
- R-Value Free: 0.153
- R-Value Work: 0.137
- R-Value Observed: 0.138
Starting Model: experimental
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Cytochrome P450 | 412 | Amycolatopsis thermoflava N1165 | Mutation(s): 0 EC: 1.14.14.1 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| HEM (Subject of Investigation/LOI) Query on HEM | B [auth A] | PROTOPORPHYRIN IX CONTAINING FE C34 H32 Fe N4 O4 KABFMIBPWCXCRK-RGGAHWMASA-L |  | ||
| UB9 (Subject of Investigation/LOI) Query on UB9 | C [auth A] | 2,6-dimethoxy-4-methylphenol C9 H12 O3 ZFBNNSOJNZBLLS-UHFFFAOYSA-N |  | ||
| NO3 Query on NO3 | D [auth A], E [auth A], F [auth A] | NITRATE ION N O3 NHNBFGGVMKEFGY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.12 Å
- R-Value Free: 0.153
- R-Value Work: 0.137
- R-Value Observed: 0.138
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.414 | α = 90 |
| b = 62.764 | β = 104.58 |
| c = 58.078 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-07-24 Deposition Author(s): Harlington, A.C., Shearwin, K.E., Bell, S.G., Whelan, F.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Wine Australia | Australia | PH2002 |
Revision History (Full details and data files)
- Version 1.0: 2024-07-24
Type: Initial release
