Download MendeleyRedox-dependent substrate-cofactor interactions in the Michaelis-complex of a flavin-dependent oxidoreductase
Werther, T., Wahlefeld, S., Salewski, J., Kuhlmann, U., Zebger, I., Hildebrandt, P., Dobbek, H.(2017) Nat Commun 8: 16084
4UTI
XenA - oxidized - Y183F variant in complex with coumarin
- PDB DOI: https://doi.org/10.2210/pdb4UTI/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Pseudomonas putida
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2014-07-21 Released: 2015-08-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.141
- R-Value Work: 0.125
- R-Value Observed: 0.125
This is version 2.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| NADH:flavin oxidoreductase | 365 | Pseudomonas putida | Mutation(s): 1 Gene Names: B7H19_27640 |  | |
UniProt | |||||
Find proteins for Q3ZDM6 (Pseudomonas putida) Explore Q3ZDM6 Go to UniProtKB: Q3ZDM6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q3ZDM6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 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 |  | ||
| COU Query on COU | C [auth A] | COUMARIN C9 H6 O2 ZYGHJZDHTFUPRJ-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.141
- R-Value Work: 0.125
- R-Value Observed: 0.125
- Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.87 | α = 90 |
| b = 83.397 | β = 90 |
| c = 156.366 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
Entry History
Deposition Data
- Released Date: 2015-08-05 Deposition Author(s): Werther, T., Dobbek, H.
Revision History (Full details and data files)
- Version 1.0: 2015-08-05
Type: Initial release - Version 1.1: 2017-08-16
Changes: Database references - Version 2.0: 2017-08-23
Changes: Atomic model, Database references, Source and taxonomy, Structure summary - Version 2.1: 2018-04-04
Changes: Data collection - Version 2.2: 2024-05-08
Changes: Data collection, Database references, Derived calculations, Other
