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Crystal structure of the abscisic acid receptor PYR1 in complex with an antagonist AS6

Analyse Crystal structure of the abscisic acid receptor PYR1 in complex with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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.

Pocket	Volume (Å³)	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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