Crystal structure of abscisic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 33% strand (DSSP).

Ligands and binding sites

• A8S · (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid · ligand · chains A
• MG · Magnesium ion · metal · 2 copies · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Interfaces

1 interface between chains.

• A–B · 916 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

• 5JO2 · Crystal structure of abscisic acid-bound abscisic acid receptor PYL3 in complex with type… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9CAJ0 · AlphaFold monomer V2.0 prediction for protein phosphatase 2C 16 (Q9CAJ0) · a predicted model of the same protein · chain B against A, TM-score 0.99
• Q9SSM7 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYL3 (Q9SSM7) · a predicted model of the same protein · chain A 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 Q9SSM7
• Every structure of UniProt Q9CAJ0
• Elsewhere: RCSB PDB 5JO2 · PDBe 5JO2 · UniProt Q9SSM7 · UniProt Q9CAJ0