Download MendeleyCrystal Structure of Drosophila melanogaster E47N Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine
Yang, Y.C., Wu, C.Y., Cheng, H.C., Lyu, P.C.To be published.
5GII
Crystal Structure of Drosophila melanogaster E47N Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine
- PDB DOI: https://doi.org/10.2210/pdb5GII/pdb
- Classification: TRANSFERASE
- Organism(s): Drosophila melanogaster
- Expression System: Escherichia coli K-12
- Mutation(s): Yes
- Deposited: 2016-06-23 Released: 2017-07-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.29 ?
- R-Value Free: 0.186
- R-Value Work: 0.160
- R-Value Observed: 0.161
This is version 1.1 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 |
| Dopamine N-acetyltransferase | 215 | Drosophila melanogaster | Mutation(s): 1 Gene Names: Dat, NAT1, CG3318 EC: 2.3.1.87 |  | |
UniProt | |||||
Find proteins for Q94521 (Drosophila melanogaster) Explore Q94521 Go to UniProtKB: Q94521 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q94521 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | B [auth A] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| 54W Query on 54W | C [auth A] | N-(2-phenylethyl)acetamide C10 H13 N O MODKMHXGCGKTLE-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.29 ?
- R-Value Free: 0.186
- R-Value Work: 0.160
- R-Value Observed: 0.161
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 43.824 | ¦Á = 90 |
| b = 56.279 | ¦Â = 90 |
| c = 84.629 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| HKL-2000 | data scaling |
| PHASER | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
Entry History
Deposition Data
- Released Date: 2017-07-05 Deposition Author(s): Yang, Y.C., Wu, C.Y., Cheng, H.C., Lyu, P.C.
Revision History (Full details and data files)
- Version 1.0: 2017-07-05
Type: Initial release - Version 1.1: 2024-03-20
Changes: Data collection, Database references
