Research workbench
Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2
Analyse Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UJL
- Type
- protein
- Length
- 453 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Abscisic acid receptor PYL2; Protein phosphatase 2C 77
- EC
- 3.1.3.16
- UniProt
- O80992, O04719
- Ligands
- A8S, MG
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYL2 | protein | 176 | 24% helix, 37% strand | O80992 |
| B | Protein phosphatase 2C 77 (EC 3.1.3.16) | protein | 277 | 35% helix, 28% strand | O04719 |
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 · 3 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 238 | 0.85 | 0.97 | 28 | A8S |
| 2 | 215 | 0.55 | 0.79 | 36 | MG |
| 3 | 76 | 0.35 | 0.76 | 17 | empty |
| 4 | 64 | 0.29 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 937 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3UJL · Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase… · the same entry in another collection · chain A against A, TM-score 1.00
- O04719 · AlphaFold monomer V2.0 prediction for protein phosphatase 2C 77 (O04719) · a predicted model of the same protein · chain B against A, TM-score 0.97
- O80992 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYL2 (O80992) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 O80992
- Every structure of UniProt O04719
- Elsewhere: RCSB PDB 3UJL · PDBe 3UJL · UniProt O80992 · UniProt O04719
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