MolNFT v1 · #145291 · protein
Crystal structure of chalcone isomerase from medicago sativa with the G95T mutation
6CJN · Chalcone--flavonone isomerase 1: “Crystal structure of chalcone isomerase from medicago sativa with the G95T mutation”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.85). MolNFT v1 #145291 on GenesisL1: 3D…
- 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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