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Crystal structure of chalcone synthase from Equisetum arvense

Analyse Crystal structure of chalcone synthase from Equisetum arvense in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DX9
Type
protein
Length
783 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.5
Source
Equisetum arvense
Molecule
Chalcone synthase
EC
2.3.1.74
UniProt
Q9MBB1
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · resolution 1.5 · 2 distinct chains · 42% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChalcone synthase (EC 2.3.1.74)protein39241% helix, 23% strandQ9MBB1
BChalcone synthase (EC 2.3.1.74)protein39143% helix, 23% strandQ9MBB1

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12580.670.8336empty
22740.660.8231empty
32790.590.7932empty
42940.570.7736empty
5620.360.7823empty

Interfaces

1 interface between chains.

  • A–B · 2991 Ų buried · 59 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

  • 6DX9 · Crystal structure of chalcone synthase from equisetum arvense · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9MBB1 · AlphaFold monomer V2.0 prediction for chalcone synthase (Q9MBB1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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