MolNFT v1 · #72793 · protein
X-ray crystal structure of the PYL2(V114I)-pyrabactin a complex
3NJ1 · Abscisic acid receptor PYL2: “X-ray crystal structure of the PYL2(V114I)-pyrabactin a complex”. X-ray diffraction, 2 ligands (PYV, P2M), 2 pockets (best druggability 0.78). MolNFT v1 #72793 on GenesisL1: 3D structure, binding sites…
- PDB
- 3NJ1
- Type
- protein
- Length
- 182 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Abscisic acid receptor PYL2
- UniProt
- O80992
- Ligands
- PYV, P2M
- Pockets
- 2 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYL2 | protein | 182 | 28% helix, 36% strand | O80992 |
Ligands and binding sites
- PYV · 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide · ligand · chains A
- P2M · N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.78 | 0.91 | 34 | PYV, P2M |
| 2 | 96 | 0.36 | 0.75 | 18 | empty |
Compared structures
- 3NJ1 · X-ray crystal structure of the PYL2(V114I)-pyrabactin A complex · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.93
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
- Elsewhere: RCSB PDB 3NJ1 · PDBe 3NJ1 · UniProt O80992
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