MolNFT v1 · #141131 · protein
Isoliquiritigenin-complexed chalcone isomerase (S189A) from the antarctic vascular plant deschampsia antarctica (DACHI1)
5YX4 · Chalcone-flavonone isomerase family protein: “Isoliquiritigenin-complexed chalcone isomerase (S189A) from the antarctic vascular plant deschampsia…”. X-ray diffraction, 1 ligand (HCC), 2 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 5YX4
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone-flavonone isomerase family protein
- UniProt
- G4U3G8
- Ligands
- HCC
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chalcone-flavonone isomerase family protein | protein | 232 | 38% helix, 26% strand | G4U3G8 |
Ligands and binding sites
- HCC · 2',4,4'-trihydroxychalcone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 197 | 0.65 | 0.84 | 28 | HCC |
| 2 | 53 | 0.29 | 0.75 | 15 | empty |
Compared structures
- 5YX4 · Isoliquiritigenin-complexed Chalcone isomerase (S189A) from the Antarctic vascular plant… · the same entry in another collection · chain A against A, TM-score 1.00
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 G4U3G8
- Elsewhere: RCSB PDB 5YX4 · PDBe 5YX4 · UniProt G4U3G8
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