MolNFT v1 · #119878 · protein
Crystal structure of drosophila melanogaster dopamine N- acetyltransferase in ternary complex with CoA and acetyl-tryptamine
5GI9 · Dopamine N-acetyltransferase: “Crystal structure of drosophila melanogaster dopamine N- acetyltransferase in ternary complex with CoA and…”. X-ray diffraction, 3 ligands (7AN, COA, D1D), 1 pocket (best druggability 0.78). MolNFT v1…
- PDB
- 5GI9
- Type
- protein
- Length
- 210 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dopamine N-acetyltransferase
- EC
- 2.3.1.87
- UniProt
- Q94521
- Ligands
- 7AN, COA, D1D
- Pockets
- 1 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dopamine N-acetyltransferase (EC 2.3.1.87) | protein | 210 | 43% helix, 25% strand | Q94521 |
Ligands and binding sites
- 7AN · ~{N}-[2-(1~{H}-indol-3-yl)ethyl]ethanamide · ligand · 2 copies · chains A
- COA · Coenzyme A · ligand · chains A
- D1D · (4S,5S)-1,2-dithiane-4,5-diol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 728 | 0.78 | 0.82 | 67 | COA, 7AN, D1D |
Compared structures
- 5GI9 · Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase in Ternary… · the same entry in another collection · chain A against A, TM-score 1.00
- Q94521 · AlphaFold monomer V2.0 prediction for dopamine N-acetyltransferase (Q94521) · a predicted model of the same protein · chain A against A, TM-score 0.96
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q94521
- Elsewhere: RCSB PDB 5GI9 · PDBe 5GI9 · UniProt Q94521
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