MolNFT v1 · #50038 · protein
Structure of eugenol synthase from ocimum basilicum
2R6J · Eugenol synthase 1: “Structure of eugenol synthase from ocimum basilicum”. X-ray diffraction, 1 ligand (NDP), 4 pockets (best druggability 0.86). MolNFT v1 #50038 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R6J
- 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
- NDP
- 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
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 983 | 0.86 | 0.87 | 101 | NDP |
| 2 | 109 | 0.52 | 0.82 | 17 | NDP |
| 3 | 156 | 0.47 | 0.77 | 28 | empty |
| 4 | 116 | 0.41 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 696 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
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 2R6J · PDBe 2R6J · UniProt Q15GI4
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