Download MendeleyX?ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase
Pompeu, Y.A., Sullivan, B., Stewart, J.D.(2013) ACS Catal 3: 2376-2390
3TXZ
OYE1-W116Q complexed with R-carvone
- PDB DOI: https://doi.org/10.2210/pdb3TXZ/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Saccharomyces pastorianus
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2011-09-23 Released: 2012-09-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 ?
- R-Value Free: 0.186
- R-Value Work: 0.161
- R-Value Observed: 0.164
This is version 1.2 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 |
| NADPH dehydrogenase 1 | 400 | Saccharomyces pastorianus | Mutation(s): 1 Gene Names: OYE1 EC: 1.6.99.1 |  | |
UniProt | |||||
Find proteins for Q02899 (Saccharomyces pastorianus) Explore Q02899 Go to UniProtKB: Q02899 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q02899 | ||||
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 |  | ||
| 07V Query on 07V | C [auth A] | (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one C10 H14 O ULDHMXUKGWMISQ-SECBINFHSA-N |  | ||
| MG Query on MG | D [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 ?
- R-Value Free: 0.186
- R-Value Work: 0.161
- R-Value Observed: 0.164
- Space Group: P 43 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 141.362 | ¦Á = 90 |
| b = 141.362 | ¦Â = 90 |
| c = 42.687 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| AMoRE | phasing |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2012-09-26 Deposition Author(s): Sullivan, B., Pompeu, Y.A., Stewart, J.D.
Revision History (Full details and data files)
- Version 1.0: 2012-09-26
Type: Initial release - Version 1.1: 2013-10-09
Changes: Database references - Version 1.2: 2024-02-28
Changes: Data collection, Database references, Derived calculations
