UniProt Q94521
Dopamine N-acetyltransferase (Q94521)
Dopamine N-acetyltransferase (UniProt Q94521), EC 2.3.1.87: 22 experimental structures and 1 predicted model on GenesisL1, 8 ligands bound, 15 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- Q94521
- Protein
- Dopamine N-acetyltransferase
- EC
- 2.3.1.87
- Experimental structures
- 22
- Predicted models
- 1
- Ligands
- 8
- Pockets
- 15 · 10 records with a druggable one
Structures
23 records of Q94521 in the MolNFT archive: 22 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5GI5 | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA | x-ray diffraction | A | COA | 1 (best 0.74) |
| 5GI5 | Crystal structure of drosophila melanogaster dopamine N- acetyltransferase bound to CoA | x-ray diffraction | A | — | — |
| 5GI6 | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA and… | x-ray diffraction | A | PEA, COA | 1 (best 0.74) |
| 5GI6 | Crystal structure of drosophila melanogaster dopamine N- acetyltransferase bound to CoA and… | x-ray diffraction | A | — | — |
| 5GI7 | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary Complex with… | x-ray diffraction | A | COA, 54W, D1D | 1 (best 0.75) |
| 5GI7 | Crystal structure of drosophila melanogaster dopamine N- acetyltransferase in ternary complex with… | x-ray diffraction | A | — | — |
| 5GI8 | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary Complex with… | x-ray diffraction | A | COA, 7DP, D1D | 1 (best 0.76) |
| 5GI8 | Crystal structure of drosophila melanogaster dopamine N- acetyltransferase in ternary complex with… | x-ray diffraction | A | — | — |
| 5GI9 | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary Complex with… | x-ray diffraction | A | COA, 7AN, D1D | — |
| 5GI9 | Crystal structure of drosophila melanogaster dopamine N- acetyltransferase in ternary complex with… | x-ray diffraction | A | — | — |
| 5GIF | Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex… | x-ray diffraction | A | D1D, ACO | 1 (best 0.75) |
| 5GIF | Crystal structure of drosophila melanogaster E47D dopamine N- acetyltransferase in binary complex… | x-ray diffraction | A | — | — |
| 5GIG | Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex… | x-ray diffraction | A | COA, 7DP, D1D | 1 (best 0.75) |
| 5GIG | Crystal structure of drosophila melanogaster E47D dopamine N- acetyltransferase in ternary complex… | x-ray diffraction | A | — | — |
| 5GIH | Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex… | x-ray diffraction | A | COA, 54W | 1 (best 0.75) |
| 5GIH | Crystal structure of drosophila melanogaster E47D dopamine N- acetyltransferase in ternary complex… | x-ray diffraction | A | — | — |
| 5GII | Crystal Structure of Drosophila melanogaster E47N Dopamine N-Acetyltransferase in Ternary Complex… | x-ray diffraction | A | COA, 54W | 1 (best 0.77) |
| 5GII | Crystal structure of drosophila melanogaster E47N dopamine N- acetyltransferase in ternary complex… | x-ray diffraction | A | — | — |
| 6K80 | Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Complex with CoA and… | x-ray diffraction | A | ZCW, ACO | — |
| 6K80 | Crystal structure of drosophila melanogaster dopamine N- acetyltransferase in complex with CoA and… | x-ray diffraction | A | ZCW, ACO | — |
| 8WMB | Crystal Structure of Drosophila melanogaster D46A Dopamine N-Acetyltransferase in Complex with… | x-ray diffraction | A | ACO | 2 (best 0.78) |
| 8WME | Crystal Structure of Drosophila melanogaster D46A Dopamine N-Acetyltransferase | x-ray diffraction | B, A | — | 5 (best 0.77) |
| Q94521 | AlphaFold monomer V2.0 prediction for dopamine N-acetyltransferase (Q94521) | predicted | A | — | — |
Ligands
- COA · Coenzyme A · in 8 records
- D1D · (4S,5S)-1,2-dithiane-4,5-diol · in 5 records
- ACO · Acetyl coenzyme *A · in 4 records
- 54W · N-(2-phenylethyl)acetamide · in 3 records
- 7DP · ~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]ethanamide · in 2 records
- ZCW · 2-(1H-indol-3-yl)ethanol · in 2 records
- 7AN · ~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide · in 1 record
- PEA · 2-phenylethylamine · in 1 record
Experiment against prediction
- 8WME chain B against the predicted model Q94521: TM-score 0.99, RMSD 0.59 Å
- 8WME chain A against the predicted model Q94521: TM-score 0.99, RMSD 0.67 Å
- 5GII chain A against the predicted model Q94521: TM-score 0.97, RMSD 0.96 Å
- 5GII chain A against the predicted model Q94521: TM-score 0.97, RMSD 0.96 Å
- 8WMB chain A against the predicted model Q94521: TM-score 0.97, RMSD 1.17 Å
- 5GIH chain A against the predicted model Q94521: TM-score 0.97, RMSD 1.01 Å
- 5GIH chain A against the predicted model Q94521: TM-score 0.97, RMSD 1.01 Å
- 5GIF chain A against the predicted model Q94521: TM-score 0.97, RMSD 1.01 Å
- 5GIF chain A against the predicted model Q94521: TM-score 0.97, RMSD 1.01 Å
- 5GI7 chain A against the predicted model Q94521: TM-score 0.97, RMSD 1.04 Å
Elsewhere
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