Research workbench
An aldol switch discovered in stilbene synthases mediates cyclization specificity of type III polyketide synthases: pine stilbene synthase structure
Analyse An aldol switch discovered in stilbene synthases mediates cyclization… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U0U
- Type
- protein
- Length
- 2,334 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydropinosylvin synthase
- EC
- 2.3.1.-
- UniProt
- Q02323
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Dihydropinosylvin synthase (EC 2.3.1.-) | protein | 389 | 42% helix, 24% strand | Q02323 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 905 | 0.81 | 0.83 | 92 | empty |
| 2 | 975 | 0.79 | 0.81 | 84 | empty |
| 3 | 141 | 0.79 | 0.96 | 32 | empty |
| 4 | 99 | 0.78 | 0.98 | 25 | empty |
| 5 | 296 | 0.77 | 0.88 | 45 | empty |
Interfaces
5 interfaces between chains.
- C–D · 3055 Ų buried · 68 hydrogen bonds · protein-protein
- E–F · 3019 Ų buried · 60 hydrogen bonds · protein-protein
- A–B · 2984 Ų buried · 59 hydrogen bonds · protein-protein
- D–E · 512 Ų buried · 7 hydrogen bonds · protein-protein
- A–F · 389 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1U0U · An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization Specificity of Type… · the same entry in another collection · chain F against F, TM-score 1.00
- Q02323 · AlphaFold monomer V2.0 prediction for pinosylvin synthase (Q02323) · 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 Q02323
- Elsewhere: RCSB PDB 1U0U · PDBe 1U0U · UniProt Q02323
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