Research workbench
The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and acetyl-CoA from oryza sativa
Analyse The crystal structure of a serotonin N-acetyltransferase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DAL
- Type
- protein
- Length
- 292 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Serotonin N-acetyltransferase 1, chloroplastic
- EC
- 2.3.1.87, 2.3.1.-
- UniProt
- Q5KQI6
- Ligands
- ACO, SRO
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Serotonin N-acetyltransferase 1, chloroplastic (EC 2.3.1.87, 2.3.1.-) | protein | 146 | 32% helix, 34% strand | Q5KQI6 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- SRO · Serotonin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.62 | 0.78 | 46 | ACO, SRO |
| 2 | 401 | 0.61 | 0.76 | 37 | ACO, SRO |
Interfaces
1 interface between chains.
- A–B · 2405 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 7DAL · The crystal structure of a serotonin N-acetyltransferase in complex with serotonin and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5KQI6 · AlphaFold monomer V2.0 prediction for serotonin N-acetyltransferase 1, chloroplastic… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q5KQI6
- Elsewhere: RCSB PDB 7DAL · PDBe 7DAL · UniProt Q5KQI6
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