MolNFT v1 · #40050 · protein
Structure of the protein phosphatase 2A core enzyme bound to okadaic acid
2IE4 · Protein phosphatase 2, regulatory subunit a (pr 65), alpha…: “Structure of the protein phosphatase 2A core enzyme bound to okadaic acid”. X-ray diffraction, 2 ligands (OKA, MN), 5 pockets (best druggability 0.51). MolNFT v1 #40050…
- 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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