Research workbench
Crystal structure of chalcone isomerase from medicago sativa with the G95T mutation
Analyse Crystal structure of chalcone isomerase from medicago sativa with the G95T… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CJN
- Type
- protein
- Length
- 438 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone--flavonone isomerase 1
- EC
- 5.5.1.6
- UniProt
- P28012
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chalcone--flavonone isomerase 1 (EC 5.5.1.6) | protein | 219 | 38% helix, 27% strand | P28012 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
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 | 959 | 0.85 | 0.86 | 107 | SO4 |
| 2 | 67 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 936 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6CJN · Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95T mutation · the same entry in another collection · chain A against A, TM-score 1.00
- P28012 · AlphaFold monomer V2.0 prediction for chalcone--flavanone isomerase 1 (P28012) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P28012
- Elsewhere: RCSB PDB 6CJN · PDBe 6CJN · UniProt P28012
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