Research workbench
Structure of eugenol synthase from ocimum basilicum complexed with emdf
Analyse Structure of eugenol synthase from ocimum basilicum complexed with emdf in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2R2G
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eugenol synthase 1
- UniProt
- Q15GI4
- Ligands
- NAP, EMF
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Eugenol synthase 1 | protein | 310 | 43% helix, 16% strand | Q15GI4 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- EMF · ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1187 | 0.86 | 0.86 | 119 | NAP, EMF |
| 2 | 105 | 0.41 | 0.77 | 24 | empty |
| 3 | 71 | 0.36 | 0.77 | 14 | empty |
| 4 | 58 | 0.31 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 752 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2R2G · Structure of Eugenol Synthase from Ocimum basilicum complexed with EMDF · the same entry in another collection · chain A against A, TM-score 1.00
- Q15GI4 · AlphaFold monomer V2.0 prediction for eugenol synthase 1 (Q15GI4) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q15GI4
- Elsewhere: RCSB PDB 2R2G · PDBe 2R2G · UniProt Q15GI4
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