MolNFT v1 · #146933 · protein
Crystal structure of chalcone synthase from arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S mutant
6DXE: “Crystal structure of chalcone synthase from arabidopsis thaliana - M64I F170S G173A S213G Q217A T270V C347S…”. X-ray diffraction, 7 pockets (best druggability 0.80). MolNFT v1 #146933 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6DXE
- Type
- protein
- Length
- 778 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone synthase
- EC
- 2.3.1.74
- UniProt
- P13114
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Chalcone synthase (EC 2.3.1.74) | protein | 389 | 46% helix, 23% strand | P13114 |
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 439 | 0.80 | 0.88 | 64 | empty |
| 2 | 452 | 0.79 | 0.86 | 64 | empty |
| 3 | 76 | 0.76 | 0.99 | 23 | empty |
| 4 | 73 | 0.75 | 0.99 | 22 | empty |
| 5 | 232 | 0.59 | 0.80 | 44 | empty |
Interfaces
1 interface between chains.
- A–C · 2992 Ų buried · 76 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 6DXE · Crystal structure of chalcone synthase from Arabidopsis thaliana - M64I F170S G173A S213G… · the same entry in another collection · chain A against A, TM-score 1.00
- P13114 · AlphaFold monomer V2.0 prediction for chalcone synthase (P13114) · a predicted model of the same protein · 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 P13114
- Elsewhere: RCSB PDB 6DXE · PDBe 6DXE · UniProt P13114
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