MolNFT v1 · #3181 · protein
Serotonin N-acetyltransferase complexed with a bisubstrate analog
1CJW · Protein (serotonin N-acetyltransferase): “Serotonin N-acetyltransferase complexed with a bisubstrate analog”. X-ray diffraction, 1 ligand (COT), 1 pocket (best druggability 0.69). MolNFT v1 #3181 on GenesisL1: 3D structure, binding…
- PDB
- 1CJW
- Type
- protein
- Length
- 166 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (serotonin N-acetyltransferase)
- UniProt
- Q29495
- Ligands
- COT
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (serotonin N-acetyltransferase) | protein | 166 | 36% helix, 30% strand | Q29495 |
Ligands and binding sites
- COT · Coa-S-acetyl tryptamine · 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 | 397 | 0.69 | 0.81 | 37 | COT |
Compared structures
- 1CJW · Serotonin N-acetyltransferase complexed with a bisubstrate analog · the same entry in another collection · chain A against A, TM-score 1.00
- Q29495 · AlphaFold monomer V2.0 prediction for serotonin N-acetyltransferase (Q29495) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q29495
- Elsewhere: RCSB PDB 1CJW · PDBe 1CJW · UniProt Q29495
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