MolNFT v1 · #111203 · protein
Crystal structure of type III polyketide synthase from oryza sativa
4YJY · Chalcone synthase 1: “Crystal structure of type III polyketide synthase from oryza sativa”. X-ray diffraction, 4 pockets (best druggability 0.74). MolNFT v1 #111203 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4YJY
- Type
- protein
- Length
- 782 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone synthase 1
- EC
- 2.3.1.74
- UniProt
- A2ZEX7
- Pockets
- 4 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chalcone synthase 1 (EC 2.3.1.74) | protein | 393 | 44% helix, 23% strand | A2ZEX7 |
| B | Chalcone synthase 1 (EC 2.3.1.74) | protein | 389 | 43% helix, 23% strand | A2ZEX7 |
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.74 | 0.86 | 50 | empty |
| 2 | 286 | 0.72 | 0.85 | 38 | empty |
| 3 | 346 | 0.61 | 0.78 | 39 | empty |
| 4 | 320 | 0.60 | 0.78 | 47 | empty |
Interfaces
1 interface between chains.
- A–B · 3068 Ų buried · 75 hydrogen bonds · protein-protein
Compared structures
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 A2ZEX7
- Elsewhere: RCSB PDB 4YJY · PDBe 4YJY · UniProt A2ZEX7
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