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Crystal structure of type III polyketide synthase from oryza sativa

Analyse Crystal structure of type III polyketide synthase from oryza sativa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YJY
Type
protein
Length
782 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chalcone synthase 1
EC
2.3.1.74
UniProt
A2ZEX7
Pockets
4 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChalcone synthase 1 (EC 2.3.1.74)protein39344% helix, 23% strandA2ZEX7
BChalcone synthase 1 (EC 2.3.1.74)protein38943% helix, 23% strandA2ZEX7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13380.740.8650empty
22860.720.8538empty
33460.610.7839empty
43200.600.7847empty

Interfaces

1 interface between chains.

  • A–B · 3068 Ų buried · 75 hydrogen bonds · protein-protein

Compared structures

  • 4YJY · Crystal structure of Type III polyketide synthase from Oryza sativa · the same entry in another collection · chain A against A, TM-score 1.00
  • A2ZEX7 · AlphaFold monomer V2.0 prediction for chalcone synthase 1 (A2ZEX7) · a predicted model of the same protein · chain B against A, TM-score 1.00

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