MolNFT v1 · #129669 · protein
Crystal structures of PYR1/HAB1 in complex with synthetic analogues of abscisic acid
5OR6 · Abscisic acid receptor PYR1: “Crystal structures of PYR1/HAB1 in complex with synthetic analogues of abscisic acid”. X-ray diffraction, 2 ligands (A4K, MN), 4 pockets (best druggability 0.83). MolNFT v1 #129669 on GenesisL1: 3D…
- PDB
- 5OR6
- Type
- protein
- Length
- 474 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
- A4K, MN
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Abscisic acid receptor PYR1 | protein | 179 | 30% helix, 37% strand | O49686 |
| B | Protein phosphatase 2C 16 (EC 3.1.3.16) | protein | 295 | 32% helix, 31% strand | Q9CAJ0 |
Ligands and binding sites
- A4K · (~{E})-3-(trifluoromethyl)-5-[(1~{S})-2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl]pent-2-en-4-ynoic acid · ligand · chains A
- MN · Manganese (II) ion · metal · 3 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 181 | 0.83 | 0.97 | 25 | A4K |
| 2 | 234 | 0.54 | 0.77 | 31 | MN |
| 3 | 53 | 0.30 | 0.75 | 11 | empty |
| 4 | 60 | 0.28 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 896 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5OR6 · Crystal structures of PYR1/HAB1 in complex with synthetic analogues of Abscisic Acid · 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 0.99
- 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 0.98
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 5OR6 · PDBe 5OR6 · UniProt O49686 · UniProt Q9CAJ0
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