MolNFT v1 · #158436 · protein
Protein phosphatase 2A (aalpha-B56ALPHA-calpha) holoenzyme in complex with a small molecule activator of PP2A (smap)
6NTS · SERINE/THREONINE-protein phosphatase 2A 65 kda regulatory…: “Protein phosphatase 2A (aalpha-B56ALPHA-calpha) holoenzyme in complex with a small molecule activator of PP2A…”. Electron microscopy, 2 ligands (L2J, MN), 15 pockets (best…
- PDB
- 6NTS
- Type
- protein
- Length
- 1,240 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein phosphatase 2A 65 kda regulatory subunit a alpha isoform…
- EC
- 3.1.3.16
- UniProt
- P30153, Q15172, P67775
- Ligands
- L2J, MN
- Pockets
- 15 · best druggability 0.76
Structure
electron microscopy · 3 distinct chains · 65% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein phosphatase 2A 65 kda regulatory subunit a alpha isoform | protein | 583 | 77% helix, 0% strand | P30153 |
| B | SERINE/THREONINE-protein phosphatase 2A 56 kda regulatory subunit alpha isoform | protein | 361 | 68% helix, 0% strand | Q15172 |
| C | SERINE/THREONINE-protein phosphatase 2A catalytic subunit alpha isoform (EC 3.1.3.16) | protein | 296 | 37% helix, 18% strand | P67775 |
Ligands and binding sites
- L2J · N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl) cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide · ligand · chains A, B, C
- MN · Manganese (II) ion · metal · 2 copies · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.76 | 0.78 | 106 | empty |
| 2 | 113 | 0.75 | 0.95 | 23 | empty |
| 3 | 774 | 0.74 | 0.79 | 88 | L2J |
| 4 | 294 | 0.68 | 0.83 | 32 | empty |
| 5 | 165 | 0.66 | 0.86 | 34 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1135 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 846 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 763 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 6NTS · Protein Phosphatase 2A (Aalpha-B56alpha-Calpha) holoenzyme in complex with a Small… · 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 0.99
- Q15172 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 56 kda… · a predicted model of the same protein · chain B against A, TM-score 0.96
- P30153 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 65 kda… · a predicted model of the same protein · chain A against A, TM-score 0.83
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 P30153
- Every structure of UniProt Q15172
- Every structure of UniProt P67775
- Elsewhere: RCSB PDB 6NTS · PDBe 6NTS · UniProt P30153 · UniProt Q15172 · UniProt P67775
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