Research workbench
Structure of the protein phosphatase 2A core enzyme bound to okadaic acid
Analyse Structure of the protein phosphatase 2A core enzyme bound to okadaic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IE4
- Type
- protein
- Length
- 869 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein phosphatase 2, regulatory subunit a (pr 65), alpha isoform…
- EC
- 3.1.3.16
- UniProt
- Q96DH3, P67775
- Ligands
- OKA, MN
- Pockets
- 5 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein phosphatase 2, regulatory subunit a (pr 65), alpha isoform | protein | 581 | 78% helix, 0% strand | Q96DH3 |
| C | SERINE/THREONINE-protein phosphatase 2A catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 288 | 34% helix, 19% strand | P67775 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 271 | 0.51 | 0.74 | 34 | empty |
| 2 | 117 | 0.50 | 0.81 | 22 | empty |
| 3 | 59 | 0.33 | 0.77 | 13 | empty |
| 4 | 73 | 0.30 | 0.74 | 19 | empty |
| 5 | 52 | 0.30 | 0.76 | 15 | MN |
Interfaces
1 interface between chains.
- A–C · 1033 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 2IE4 · Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid · the same entry in another collection · chain A against A, TM-score 1.00
- P67775 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A catalytic… · a predicted model of the same protein · chain C against A, TM-score 1.00
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 Q96DH3
- Every structure of UniProt P67775
- Elsewhere: RCSB PDB 2IE4 · PDBe 2IE4 · UniProt Q96DH3 · UniProt P67775
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