MolNFT v1 · #57873 · protein
A type III polyketide synthase that produces diarylheptanoid
3ALE · OS07G0271500 protein: “A type III polyketide synthase that produces diarylheptanoid”. X-ray diffraction, 14 pockets (best druggability 0.77). MolNFT v1 #57873 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ALE
- Type
- protein
- Length
- 1,460 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- OS07G0271500 protein
- UniProt
- Q8LIL0
- Pockets
- 14 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 42% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | OS07G0271500 protein | protein | 369 | 41% helix, 24% strand | Q8LIL0 |
| B | OS07G0271500 protein | protein | 366 | 43% helix, 24% strand | Q8LIL0 |
| C | OS07G0271500 protein | protein | 364 | 43% helix, 24% strand | Q8LIL0 |
| D | OS07G0271500 protein | protein | 361 | 42% helix, 25% strand | Q8LIL0 |
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.77 | 0.89 | 39 | empty |
| 2 | 311 | 0.76 | 0.88 | 46 | empty |
| 3 | 264 | 0.76 | 0.89 | 41 | empty |
| 4 | 312 | 0.74 | 0.86 | 46 | empty |
| 5 | 210 | 0.53 | 0.78 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2475 Ų buried · 50 hydrogen bonds · protein-protein
- C–D · 2392 Ų buried · 54 hydrogen bonds · protein-protein
- A–C · 245 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3ALE · A type III polyketide synthase that produces diarylheptanoid · the same entry in another collection · chain C against C, TM-score 1.00
- Q8LIL0 · AlphaFold monomer V2.0 prediction for bisdemethoxycurcumin synthase (Q8LIL0) · a predicted model of the same protein · chain C 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 Q8LIL0
- Elsewhere: RCSB PDB 3ALE · PDBe 3ALE · UniProt Q8LIL0
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