MolNFT v1 · #23459 · protein
An aldol switch discovered in stilbene synthases mediates cyclization of specificity of type III polyketide synthases: 18XCHS structure
1U0V · Chalcone synthase 2: “An aldol switch discovered in stilbene synthases mediates cyclization of specificity of type III polyketide…”. X-ray diffraction, 5 pockets (best druggability 0.76). MolNFT v1 #23459 on GenesisL1: 3D structure…
- PDB
- 1U0V
- Type
- protein
- Length
- 768 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone synthase 2
- EC
- 2.3.1.74
- UniProt
- P30074
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chalcone synthase 2 (EC 2.3.1.74) | protein | 388 | 43% helix, 23% strand | P30074 |
| B | Chalcone synthase 2 (EC 2.3.1.74) | protein | 380 | 42% helix, 24% strand | P30074 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 360 | 0.76 | 0.87 | 54 | empty |
| 2 | 316 | 0.75 | 0.86 | 50 | empty |
| 3 | 209 | 0.54 | 0.78 | 32 | empty |
| 4 | 218 | 0.54 | 0.78 | 37 | empty |
| 5 | 81 | 0.40 | 0.78 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2819 Ų buried · 70 hydrogen bonds · protein-protein
Compared structures
- 1U0V · An Aldol Switch Discovered in Stilbene Synthases Mediates Cyclization of Specificity of… · the same entry in another collection · chain A against A, TM-score 1.00
- P30074 · AlphaFold monomer V2.0 prediction for chalcone synthase 2 (P30074) · 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 P30074
- Elsewhere: RCSB PDB 1U0V · PDBe 1U0V · UniProt P30074
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