Download MendeleyStructural roles of biocovalent flaninylation in berberine bridge enzyme
Winkler, A., Motz, K., Riedl, S., Puhl, M., Macheroux, P., Gruber, K.To be published.
3FW9
Structure of berberine bridge enzyme in complex with (S)-scoulerine
- PDB DOI: https://doi.org/10.2210/pdb3FW9/pdb
- Classification: FLAVOPROTEIN
- Organism(s): Eschscholzia californica
- Expression System: Komagataella pastoris
- Mutation(s): No
- Deposited: 2009-01-17 Released: 2009-05-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.49 ?
- R-Value Free: 0.195
- R-Value Work: 0.172
- R-Value Observed: 0.173
Starting Model: experimental
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This is version 2.1 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 |
| Reticuline oxidase | 495 | Eschscholzia californica | Mutation(s): 0 Gene Names: BBE1 EC: 1.21.3.3 |  | |
UniProt | |||||
Find proteins for P30986 (Eschscholzia californica) Explore P30986 Go to UniProtKB: P30986 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P30986 | ||||
Glycosylation | |||||
| Glycosylation Sites: 2 | |||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FAD Query on FAD | C [auth A] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N |  | ||
| SLX Query on SLX | D [auth A] | (13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol C19 H21 N O4 KNWVMRVOBAFFMH-HNNXBMFYSA-N |  | ||
| NAG Query on NAG | E [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| MG Query on MG | F [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.49 ?
- R-Value Free: 0.195
- R-Value Work: 0.172
- R-Value Observed: 0.173
- Space Group: P 41 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 68.72 | ¦Á = 90 |
| b = 68.72 | ¦Â = 90 |
| c = 247.17 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| MAR345dtb | data collection |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2009-05-19 Deposition Author(s): Winkler, A., Macheroux, P., Gruber, K.
Revision History (Full details and data files)
- Version 1.0: 2009-05-19
Type: Initial release - Version 1.1: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary - Version 2.1: 2023-09-06
Changes: Data collection, Database references, Refinement description, Structure summary
