MolNFT v1 · #117530 · protein
5-epi-aristolochene synthase from nicotiana tabacum with substrate analog farnesyl hydroxyphosphonate
5EAT: “5-epi-aristolochene synthase from nicotiana tabacum with substrate analog farnesyl hydroxyphosphonate”. X-ray diffraction, 2 ligands (FHP, MG), 6 pockets (best druggability 0.81). MolNFT v1 #117530 on GenesisL1: 3D structure…
- PDB
- 5EAT
- Type
- protein
- Length
- 532 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-epi-aristolochene synthase
- UniProt
- Q40577
- Ligands
- FHP, MG
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-epi-aristolochene synthase | protein | 532 | 72% helix, 0% strand | Q40577 |
Ligands and binding sites
- FHP · 1-hydroxy-3,7,11-trimethyldodeca-2,6,10-triene phosphonic acid · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 489 | 0.81 | 0.88 | 53 | MG, FHP |
| 2 | 486 | 0.81 | 0.88 | 49 | empty |
| 3 | 196 | 0.57 | 0.80 | 23 | empty |
| 4 | 257 | 0.54 | 0.76 | 28 | empty |
| 5 | 62 | 0.47 | 0.84 | 14 | empty |
Compared structures
- 5EAT · 5-epi-aristolochene synthase from nicotiana tabacum with substrate analog farnesyl… · the same entry in another collection · chain A against A, TM-score 1.00
- Q40577 · AlphaFold monomer V2.0 prediction for 5-epi-aristolochene synthase (Q40577) · 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 Q40577
- Elsewhere: RCSB PDB 5EAT · PDBe 5EAT · UniProt Q40577
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