MolNFT v1 · #81202 · protein
Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2
3UJL · Abscisic acid receptor PYL2: “Crystal structure of abscisic acid bound PYL2 in complex with type 2C protein phosphatase ABI2”. X-ray diffraction, 2 ligands (A8S, MG), 4 pockets (best druggability 0.85). MolNFT v1 #81202 on…
- 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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