Research workbench
Chalcone synthase from alfalfa complexed with hexanoyl-CoA
Analyse Chalcone synthase from alfalfa complexed with hexanoyl-CoA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CHW
- Type
- protein
- Length
- 778 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (chalcone synthase)
- EC
- 2.3.1.74
- UniProt
- P30074
- Ligands
- HXC
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (chalcone synthase) (EC 2.3.1.74) | protein | 389 | 43% helix, 23% strand | P30074 |
Ligands and binding sites
- HXC · Hexanoyl-coenzyme A · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.73 | 0.85 | 55 | HXC |
| 2 | 210 | 0.66 | 0.84 | 33 | HXC |
| 3 | 212 | 0.44 | 0.73 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 35 Ų buried · 0 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 P30074
- Elsewhere: RCSB PDB 1CHW · PDBe 1CHW · UniProt P30074
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