MolNFT v1 · #176068 · protein
The crystal structure of a serotonin N-acetyltransferase from oryza sativa
7DAI · Serotonin N-acetyltransferase 1, chloroplastic: “The crystal structure of a serotonin N-acetyltransferase from oryza sativa”. X-ray diffraction, 6 pockets (best druggability 0.69). MolNFT v1 #176068 on GenesisL1: 3D structure…
- PDB
- 7DAI
- Type
- protein
- Length
- 440 residues
- Chains
- 3
- 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
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Serotonin N-acetyltransferase 1, chloroplastic (EC 2.3.1.87, 2.3.1.-) | protein | 143 | 34% helix, 29% strand | Q5KQI6 |
| B | Serotonin N-acetyltransferase 1, chloroplastic (EC 2.3.1.87, 2.3.1.-) | protein | 146 | 33% helix, 35% strand | Q5KQI6 |
| C | Serotonin N-acetyltransferase 1, chloroplastic (EC 2.3.1.87, 2.3.1.-) | protein | 151 | 32% helix, 37% strand | Q5KQI6 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.69 | 0.80 | 45 | empty |
| 2 | 409 | 0.65 | 0.78 | 38 | empty |
| 3 | 171 | 0.50 | 0.77 | 26 | empty |
| 4 | 137 | 0.42 | 0.75 | 17 | empty |
| 5 | 121 | 0.39 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2478 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 308 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 289 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7DAI · The crystal structure of a serotonin N-acetyltransferase from Oryza Sativa · 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 C 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 7DAI · PDBe 7DAI · UniProt Q5KQI6
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