Research workbench
Crystal structure of (+)-aba-bound PYL1 in complex with ABI1
Analyse Crystal structure of (+)-aba-bound PYL1 in complex with ABI1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3JRQ
- Type
- protein
- Length
- 444 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein phosphatase 2C 56; Putative uncharacterized protein AT5G46790
- EC
- 3.1.3.16
- UniProt
- P49597, Q8VZS8
- Ligands
- A8S
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein phosphatase 2C 56 (EC 3.1.3.16) | protein | 271 | 35% helix, 29% strand | P49597 |
| B | Putative uncharacterized protein AT5G46790 | protein | 173 | 28% helix, 35% strand | Q8VZS8 |
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 B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.85 | 0.97 | 29 | A8S |
| 2 | 217 | 0.58 | 0.80 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 912 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3JRQ · Crystal structure of (+)-ABA-bound PYL1 in complex with ABI1 · the same entry in another collection · chain A against A, TM-score 1.00
- P49597 · AlphaFold monomer V2.0 prediction for protein phosphatase 2C 56 (P49597) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q8VZS8 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYL1 (Q8VZS8) · a predicted model of the same protein · chain B 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 P49597
- Every structure of UniProt Q8VZS8
- Elsewhere: RCSB PDB 3JRQ · PDBe 3JRQ · UniProt P49597 · UniProt Q8VZS8
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