Research workbench
Crystal structure of the PYR1 abscisic acid receptor in complex with the HAB1 type 2C phosphatase catalytic domain
Analyse Crystal structure of the PYR1 abscisic acid receptor in complex with the HAB1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QN1
- Type
- protein
- Length
- 474 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Abscisic acid receptor PYR1; Protein phosphatase 2C 16
- EC
- 3.1.3.16
- UniProt
- O49686, Q9CAJ0
- Ligands
- A8S, MN
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYR1 | protein | 179 | 30% helix, 35% strand | O49686 |
| B | Protein phosphatase 2C 16 (EC 3.1.3.16) | protein | 295 | 32% helix, 31% strand | Q9CAJ0 |
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
- MN · Manganese (II) ion · metal · 3 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.83 | 0.97 | 28 | A8S |
| 2 | 311 | 0.58 | 0.77 | 44 | MN |
| 3 | 59 | 0.31 | 0.75 | 9 | empty |
Interfaces
1 interface between chains.
- A–B · 885 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3QN1 · Crystal structure of the PYR1 Abscisic Acid receptor in complex with the HAB1 type 2C… · the same entry in another collection · chain B against B, 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
- O49686 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYR1 (O49686) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O49686
- Every structure of UniProt Q9CAJ0
- Elsewhere: RCSB PDB 3QN1 · PDBe 3QN1 · UniProt O49686 · UniProt Q9CAJ0
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