MolNFT v1 · #83374 · protein
Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6
3WG8: “Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6”. X-ray diffraction, 1 ligand (6AS), 1 pocket (best druggability 0.80). MolNFT v1 #83374 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3WG8
- Type
- protein
- Length
- 175 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Abscisic acid receptor PYR1
- UniProt
- O49686
- Ligands
- 6AS
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYR1 | protein | 175 | 28% helix, 35% strand | O49686 |
Ligands and binding sites
- 6AS · (2Z,4E)-5-[(1S)-3-(hexylsulfanyl)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 272 | 0.80 | 0.92 | 33 | 6AS |
Compared structures
- 3WG8 · Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6 · the same entry in another collection · chain A against A, TM-score 1.00
- 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 0.97
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
- Elsewhere: RCSB PDB 3WG8 · PDBe 3WG8 · UniProt O49686
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