MolNFT v1 · #123556 · protein

Crystal structure of phaseic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein phosphatase HAB1

5JO1 · Protein phosphatase 2C 16: “Crystal structure of phaseic acid-bound abscisic acid receptor PYL3 in complex with type 2C protein…”. X-ray diffraction, 2 ligands (6LM, MG), 3 pockets (best druggability 0.84). MolNFT v1 #123556 on…

PDB: 5JO1
Type: protein
Length: 481 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein phosphatase 2C 16; Abscisic acid receptor PYL3
EC: 3.1.3.16
UniProt: Q9CAJ0, Q9SSM7
Ligands: 6LM, MG
Pockets: 3 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Protein phosphatase 2C 16 (EC 3.1.3.16)	protein	299	31% helix, 28% strand	Q9CAJ0
A	Abscisic acid receptor PYL3	protein	182	28% helix, 35% strand	Q9SSM7

Ligands and binding sites

6LM · (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains B, A

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	215	0.84	0.96	28	6LM
2	213	0.53	0.78	33	MG
3	102	0.36	0.74	17	empty

Interfaces

1 interface between chains.

B–A · 919 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

5JO1 · Crystal structure of phaseic acid-bound abscisic acid receptor PYL3 in complex with type… · the same entry in another collection · chain B against B, 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
Q9SSM7 · AlphaFold monomer V2.0 prediction for abscisic acid receptor PYL3 (Q9SSM7) · 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 Q9CAJ0
Every structure of UniProt Q9SSM7
Elsewhere: RCSB PDB 5JO1 · PDBe 5JO1 · UniProt Q9CAJ0 · UniProt Q9SSM7

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