Research workbench
Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - nonalkylated
Analyse Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - nonalkylated in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DHI
- Type
- protein
- Length
- 536 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-epi-aristolochene synthase
- EC
- 4.2.3.61
- UniProt
- Q40577
- Ligands
- MG
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 5-epi-aristolochene synthase (EC 4.2.3.61) | protein | 536 | 71% helix, 0% strand | Q40577 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.81 | 0.88 | 53 | MG |
| 2 | 490 | 0.80 | 0.87 | 42 | empty |
| 3 | 285 | 0.57 | 0.77 | 29 | empty |
| 4 | 221 | 0.55 | 0.78 | 25 | empty |
| 5 | 96 | 0.48 | 0.81 | 19 | empty |
Compared structures
- 5DHI · Nicotiana tabacum 5-epi-aristolochene synthase mutant W273E - nonalkylated · 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 5DHI · PDBe 5DHI · UniProt Q40577
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