Download MendeleyStructural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis
Tsai, S.-C., Jackson, D.R., Patel, A., Barajas, J.F., Rohr, J., Yu, X., Liu, H.-W., Sasaki, E., Calveras, J., Metsa-Ketela, M.To be published.
4X4J
Structural and Functional Studies of BexE: Insights into Oxidation During BE-7585A Biosynthesis
- PDB DOI: https://doi.org/10.2210/pdb4X4J/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Amycolatopsis orientalis subsp. vinearia
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-12-02 Released: 2015-12-02
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.246
- R-Value Work: 0.193
- R-Value Observed: 0.197
This is version 1.3 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 |
| Putative oxygenase | 507 | Amycolatopsis orientalis subsp. vinearia | Mutation(s): 0 Gene Names: bexE |  | |
UniProt | |||||
Find proteins for D7RFJ3 (Amycolatopsis orientalis subsp. vinearia) Explore D7RFJ3 Go to UniProtKB: D7RFJ3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | D7RFJ3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FAD Query on FAD | E [auth A], G [auth B] | FLAVIN-ADENINE DINUCLEOTIDE C27 H33 N9 O15 P2 VWWQXMAJTJZDQX-UYBVJOGSSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], F [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.65 Å
- R-Value Free: 0.246
- R-Value Work: 0.193
- R-Value Observed: 0.197
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 150.672 | α = 90 |
| b = 80.379 | β = 126.19 |
| c = 105.079 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data scaling |
| PHASER | phasing |
| Coot | model building |
| HKL-2000 | data reduction |
Entry History & Funding Information
Deposition Data
- Released Date: 2015-12-02 Deposition Author(s): Tsai, S.-C., Jackson, D.R., Patel, A., Barajas, J.F., Rohr, J., Yu, X., Liu, H.-W., Sasaki, E., Calveras, J., Metsa-Ketela, M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | 5R01GM100305-03 |
Revision History (Full details and data files)
- Version 1.0: 2015-12-02
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations, Refinement description - Version 1.2: 2019-12-25
Changes: Author supporting evidence - Version 1.3: 2023-09-27
Changes: Data collection, Database references, Refinement description
