Download Mendeley1.1-A crystal structure of D. lebanonensis ADH complexed with NAD+ and 2,2,2-trifluoroethanol
Benach, J., Meijers, R., Atrian, S., Gonzalez-Duarte, R., Lamzin, V.S., Ladenstein, R.To be published.
1SBY | pdb_00001sby
Alcohol dehydrogenase from Drosophila lebanonensis complexed with NAD+ and 2,2,2-trifluoroethanol at 1.1 A resolution
- PDB DOI: https://doi.org/10.2210/pdb1SBY/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Scaptodrosophila lebanonensis
- Mutation(s): No
- Deposited: 2004-02-11 Released: 2005-02-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.172 (Depositor), 0.170 (DCC)
- R-Value Work: 0.140 (DCC)
- R-Value Observed: 0.132 (Depositor)
Starting Model: experimental
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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 |
| Alcohol dehydrogenase | 254 | Scaptodrosophila lebanonensis | Mutation(s): 0 EC: 1.1.1.1 |  | |
UniProt | |||||
Find proteins for P10807 (Drosophila lebanonensis) Explore P10807 Go to UniProtKB: P10807 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P10807 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | C [auth A], E [auth B] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| ETF Query on ETF | D [auth A], F [auth B] | TRIFLUOROETHANOL C2 H3 F3 O RHQDFWAXVIIEBN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.10 Å
- R-Value Free: 0.172 (Depositor), 0.170 (DCC)
- R-Value Work: 0.140 (DCC)
- R-Value Observed: 0.132 (Depositor)
Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 66.3 | α = 90 |
| b = 52.73 | β = 107.34 |
| c = 69.92 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| SCALEPACK | data scaling |
| AMoRE | phasing |
| SHELXL-97 | refinement |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2005-02-22 Deposition Author(s): Benach, J., Meijers, R., Atrian, S., Gonzalez-Duarte, R., Lamzin, V.S., Ladenstein, R.
Revision History (Full details and data files)
- Version 1.0: 2005-02-22
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-08-23
Changes: Data collection, Database references, Derived calculations, Refinement description
