Download MendeleyInsights into the complexity of coenzyme specificity in ene-reductases
Kerschaumer, B., Macheroux, P., Bijelic, A.To be published.
9FCN | pdb_00009fcn
OPR3 loop swap variant L6(AchrOYE4) in complex with NADPH4
- PDB DOI: https://doi.org/10.2210/pdb9FCN/pdb
- Classification: FLAVOPROTEIN
- Organism(s): Solanum lycopersicum, Achromobacter sp. JA81
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-05-15 Released: 2025-05-28
- Funding Organization(s): Austrian Science Fund
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 Å
- R-Value Free: 0.235 (Depositor), 0.234 (DCC)
- R-Value Work: 0.184 (Depositor), 0.184 (DCC)
- R-Value Observed: 0.186 (Depositor)
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 |
| 12-oxophytodienoate reductase 3,Old yellow enzyme OYE4 | 400 | Solanum lycopersicum, Achromobacter sp. JA81 | Mutation(s): 0 Gene Names: OPR3 EC: 1.3.1.42 (PDB Primary Data), 1.6.99.1 (PDB Primary Data) |  | |
UniProt | |||||
Find proteins for I3V5V6 (Achromobacter sp. JA81) Explore I3V5V6 Go to UniProtKB: I3V5V6 | |||||
Find proteins for Q9FEW9 (Solanum lycopersicum) Explore Q9FEW9 Go to UniProtKB: Q9FEW9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Groups | I3V5V6Q9FEW9 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TXP (Subject of Investigation/LOI) Query on TXP | D [auth A], F [auth B] | 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE C21 H32 N7 O17 P3 MGWIKFWDIJJFDG-ILTSWSAWSA-N |  | ||
| FMN Query on FMN | C [auth A], E [auth B] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 Å
- R-Value Free: 0.235 (Depositor), 0.234 (DCC)
- R-Value Work: 0.184 (Depositor), 0.184 (DCC)
- R-Value Observed: 0.186 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 49.322 | α = 90 |
| b = 93.996 | β = 97.601 |
| c = 89.275 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-05-28 Deposition Author(s): Bijelic, A., Kerschbaumer, B., Macheroux, P.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Austrian Science Fund | Austria | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-05-28
Type: Initial release
