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Crystal structure of (+)-aba-bound PYL1

Analyse Crystal structure of (+)-aba-bound PYL1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3JRS
Type: protein
Length: 507 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein AT5G46790
UniProt: Q8VZS8
Ligands: A8S
Pockets: 5 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein AT5G46790	protein	174	29% helix, 35% strand	Q8VZS8
B	Putative uncharacterized protein AT5G46790	protein	173	29% helix, 34% strand	Q8VZS8
C	Putative uncharacterized protein AT5G46790	protein	160	28% helix, 36% strand	Q8VZS8

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 · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	200	0.81	0.95	28	A8S
2	261	0.79	0.91	35	A8S
3	244	0.77	0.90	32	A8S
4	490	0.67	0.79	56	empty
5	69	0.28	0.72	14	empty

Interfaces

2 interfaces between chains.

B–C · 752 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 487 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

3JRS · Crystal structure of (+)-ABA-bound PYL1 · the same entry in another collection · chain A against A, TM-score 1.00
Q8VZS8 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYL1 (Q8VZS8) · 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 Q8VZS8
Elsewhere: RCSB PDB 3JRS · PDBe 3JRS · UniProt Q8VZS8

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