Download MendeleyModulation of Isoalloxazine Ring Planarity Influences Fmn Electronic Properties in Old Yellow Enzymes
Elegheert, J., Pauwels, E., Wille, G., Brige, A., Savvides, S.N.To be published.
4AWU
Crystal structure of the oxidized Shewanella Yellow Enzyme 1 (SYE1) M25L mutant in complex with para-chlorophenol
- PDB DOI: https://doi.org/10.2210/pdb4AWU/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Shewanella oneidensis MR-1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2012-06-05 Released: 2013-06-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.69 Å
- R-Value Free: 0.191
- R-Value Work: 0.169
- R-Value Observed: 0.170
Starting Model: experimental
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This is version 1.2 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 |
| OXIDOREDUCTASE, FMN-BINDING | 365 | Shewanella oneidensis MR-1 | Mutation(s): 1 EC: 1.6.99.1 |  | |
UniProt | |||||
Find proteins for Q8EEC8 (Shewanella oneidensis (strain ATCC 700550 / JCM 31522 / CIP 106686 / LMG 19005 / NCIMB 14063 / MR-1)) Explore Q8EEC8 Go to UniProtKB: Q8EEC8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8EEC8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FMN Query on FMN | B [auth A] | FLAVIN MONONUCLEOTIDE C17 H21 N4 O9 P FVTCRASFADXXNN-SCRDCRAPSA-N |  | ||
| PE4 Query on PE4 | G [auth A] | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL C16 H34 O8 PJWQOENWHPEPKI-UHFFFAOYSA-N |  | ||
| 4CH Query on 4CH | D [auth A], E [auth A], F [auth A] | 4-chlorophenol C6 H5 Cl O WXNZTHHGJRFXKQ-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.69 Å
- R-Value Free: 0.191
- R-Value Work: 0.169
- R-Value Observed: 0.170
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 47.82 | α = 90 |
| b = 83.67 | β = 90 |
| c = 87.82 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2013-06-26 Deposition Author(s): Elegheert, J., Brige, A., Savvides, S.N.
Revision History (Full details and data files)
- Version 1.0: 2013-06-26
Type: Initial release - Version 1.1: 2019-07-17
Changes: Data collection - Version 1.2: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Other, Refinement description
