Research workbench
Crystal structure of chalcone synthase from arabidopsis thaliana - C347S mutant
Analyse Crystal structure of chalcone synthase from arabidopsis thaliana - C347S mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6DXD
- Type
- protein
- Length
- 1,556 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chalcone synthase
- EC
- 2.3.1.74
- UniProt
- P13114
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Chalcone synthase (EC 2.3.1.74) | protein | 389 | 45% helix, 23% strand | P13114 |
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1195 | 0.78 | 0.80 | 84 | empty |
| 2 | 303 | 0.71 | 0.84 | 38 | empty |
| 3 | 270 | 0.70 | 0.85 | 37 | empty |
| 4 | 272 | 0.68 | 0.83 | 37 | empty |
| 5 | 605 | 0.66 | 0.76 | 61 | empty |
Interfaces
4 interfaces between chains.
- B–D · 3014 Ų buried · 76 hydrogen bonds · protein-protein
- A–C · 3004 Ų buried · 75 hydrogen bonds · protein-protein
- A–B · 366 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 110 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 6DXD · Crystal structure of chalcone synthase from Arabidopsis thaliana - C347S mutant · the same entry in another collection · chain D against D, TM-score 1.00
- P13114 · AlphaFold monomer V2.0 prediction for chalcone synthase (P13114) · a predicted model of the same protein · chain B 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 6DXD · PDBe 6DXD · UniProt P13114
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