Research workbench
Structure of the PYR1 HIS60PRO mutant in complex with the HAB1 phosphatase and abscisic acid
Analyse Structure of the PYR1 HIS60PRO mutant in complex with the HAB1 phosphatase and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZVU
- Type
- protein
- Length
- 476 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Abscisic acid receptor PYR1; Protein phosphatase 2C 16
- EC
- 3.1.3.16
- UniProt
- O49686, Q9CAJ0
- Ligands
- A8S, MN, SO4
- Pockets
- 6 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYR1 | protein | 181 | 29% helix, 35% strand | O49686 |
| B | Protein phosphatase 2C 16 (EC 3.1.3.16) | protein | 295 | 32% helix, 31% strand | Q9CAJ0 |
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 · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 195 | 0.84 | 0.97 | 26 | A8S |
| 2 | 252 | 0.56 | 0.78 | 31 | MN, SO4 |
| 3 | 53 | 0.40 | 0.82 | 16 | empty |
| 4 | 59 | 0.30 | 0.74 | 10 | empty |
| 5 | 67 | 0.29 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 904 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3ZVU · Structure of the PYR1 His60Pro mutant in complex with the HAB1 phosphatase and Abscisic… · the same entry in another collection · chain A against A, 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 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 0.99
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
- Every structure of UniProt Q9CAJ0
- Elsewhere: RCSB PDB 3ZVU · PDBe 3ZVU · UniProt O49686 · UniProt Q9CAJ0
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