Research workbench
Crystal structure of tetrahydrocannabinolic acid synthase from cannabis sativa
Analyse Crystal structure of tetrahydrocannabinolic acid synthase from cannabis sativa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VTE
- Type
- protein
- Length
- 502 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetrahydrocannabinolic acid synthase
- UniProt
- Q8GTB6
- Ligands
- FAD, NAG
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetrahydrocannabinolic acid synthase | protein | 502 | 36% helix, 21% strand | Q8GTB6 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 917 | 0.82 | 0.83 | 73 | FAD |
| 2 | 143 | 0.48 | 0.78 | 35 | empty |
| 3 | 60 | 0.42 | 0.82 | 20 | empty |
Modifications
Observed in the structure: 6 glycan, 2 cofactor, 1 disulfide (N-glycosylation, flavinylation, disulfide).
Compared structures
- 3VTE · Crystal structure of tetrahydrocannabinolic acid synthase from Cannabis sativa · the same entry in another collection · chain A against A, TM-score 1.00
- Q8GTB6 · AlphaFold monomer V2.0 prediction for tetrahydrocannabinolic acid synthase (Q8GTB6) · 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 Q8GTB6
- Elsewhere: RCSB PDB 3VTE · PDBe 3VTE · UniProt Q8GTB6
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