Research workbench
The multiple phenylpropene synthases in both clarkia breweri and petunia hybrida represent two distinct lineages
Analyse The multiple phenylpropene synthases in both clarkia breweri and petunia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3C3X
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eugenol synthase 1
- EC
- 1.-.-.-
- UniProt
- Q15GI4
- Ligands
- NAP
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Eugenol synthase 1 (EC 1.-.-.-) | protein | 310 | 44% helix, 16% strand | Q15GI4 |
Ligands and binding sites
- NAP · Nadp 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
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1050 | 0.88 | 0.88 | 108 | NAP |
| 2 | 70 | 0.53 | 0.86 | 18 | empty |
| 3 | 133 | 0.44 | 0.76 | 27 | empty |
| 4 | 72 | 0.38 | 0.78 | 20 | empty |
| 5 | 51 | 0.25 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 740 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 3C3X · The multiple phenylpropene synthases in both Clarkia breweri and Petunia hybrida… · 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 B 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 3C3X · PDBe 3C3X · UniProt Q15GI4
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