Download MendeleyOne-Pot Biocatalytic Double Oxidation of alpha-Isophorone for the Synthesis of Ketoisophorone
Tavanti, M., Parmeggiani, F., Castellanos, J.R.G., Mattevi, A., Turner, N.J.(2017) ChemCatChem
5MLN
The crystal structure of alcohol dehydrogenase 10 from Candida magnoliae
- PDB DOI: https://doi.org/10.2210/pdb5MLN/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Starmerella magnoliae
- Expression System: Escherichia coli DH1
- Mutation(s): No
- Deposited: 2016-12-07 Released: 2017-12-20
- Funding Organization(s): European Union
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.180
- R-Value Work: 0.146
- R-Value Observed: 0.147
This is version 1.3 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 |
| Alcohol dehydrogenase 3 | 241 | Starmerella magnoliae | Mutation(s): 0 Gene Names: adh3 |  | |
UniProt | |||||
Find proteins for B8K244 (Starmerella magnoliae) Explore B8K244 Go to UniProtKB: B8K244 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B8K244 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAP Query on NAP | C [auth A], G [auth B] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N |  | ||
| PEG Query on PEG | D [auth A], E [auth A], F [auth A], H [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.180
- R-Value Work: 0.146
- R-Value Observed: 0.147
- Space Group: P 21 2 21
- Diffraction Data: https://doi.org/10.18430/m35mln
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 74.178 | α = 90 |
| b = 80.425 | β = 90 |
| c = 80.52 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-12-20 Deposition Author(s): Castellanos, J.R.G., Mattevi, A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| European Union | 635734 |
Revision History (Full details and data files)
- Version 1.0: 2017-12-20
Type: Initial release - Version 1.1: 2019-07-03
Changes: Data collection, Database references - Version 1.2: 2020-04-22
Changes: Database references - Version 1.3: 2024-01-17
Changes: Data collection, Database references, Refinement description
