Research workbench
Crystal structure of pyrabactin bound abscisic acid receptor PYL2 mutant A93F in complex with type 2C protein phosphatase HAB1
Analyse Crystal structure of pyrabactin bound abscisic acid receptor PYL2 mutant A93F… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NMT
- Type
- protein
- Length
- 472 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Abscisic acid receptor PYL2; Protein phosphatase 2C 16
- EC
- 3.1.3.16
- UniProt
- O80992, Q9CAJ0
- Ligands
- PYV, MG, SO4
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYL2 | protein | 176 | 27% helix, 36% strand | O80992 |
| B | Protein phosphatase 2C 16 (EC 3.1.3.16) | protein | 296 | 30% helix, 30% strand | Q9CAJ0 |
Ligands and binding sites
- PYV · 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains A, 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 | 312 | 0.80 | 0.90 | 34 | PYV |
| 2 | 225 | 0.55 | 0.79 | 34 | MG, SO4 |
| 3 | 91 | 0.36 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 922 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3NMT · Crystal structure of pyrabactin bound abscisic acid receptor PYL2 mutant A93F in complex… · 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
- 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 0.95
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 Q9CAJ0
- Elsewhere: RCSB PDB 3NMT · PDBe 3NMT · UniProt O80992 · UniProt Q9CAJ0
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