MolNFT v1 · #152830 · protein
A phosphatase complex STRN3-PP2AA
6IUR · PP2A scaffolding subunit: “A phosphatase complex STRN3-PP2AA”. X-ray diffraction, 1 ligand (TME), 20 pockets (best druggability 0.78). MolNFT v1 #152830 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IUR
- Type
- protein
- Length
- 2,506 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PP2A scaffolding subunit; Striatin-3
- UniProt
- P30153, Q13033
- Ligands
- TME
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 7 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PP2A scaffolding subunit | protein | 581 | 78% helix, 0% strand | P30153 |
| B | PP2A scaffolding subunit | protein | 577 | 77% helix, 0% strand | P30153 |
| C | Striatin-3 | protein | 47 | 91% helix, 0% strand | Q13033 |
| D, H | Striatin-3 | protein | 46 | 91% helix, 0% strand | Q13033 |
| E | PP2A scaffolding subunit | protein | 581 | 75% helix, 0% strand | P30153 |
| F | PP2A scaffolding subunit | protein | 582 | 74% helix, 0% strand | P30153 |
| G | Striatin-3 | protein | 46 | 96% helix, 0% strand | Q13033 |
Ligands and binding sites
- TME · Propane · ligand · 6 copies · chains B, E, C, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 137 | 0.78 | 0.95 | 34 | empty |
| 2 | 1198 | 0.73 | 0.76 | 90 | empty |
| 3 | 663 | 0.70 | 0.77 | 56 | empty |
| 4 | 683 | 0.69 | 0.77 | 59 | empty |
| 5 | 622 | 0.68 | 0.77 | 67 | TME |
Interfaces
17 interfaces between chains.
- G–H · 1322 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1318 Ų buried · 6 hydrogen bonds · protein-protein
- B–E · 758 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 676 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 659 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6IUR · A phosphatase complex STRN3-PP2Aa · the same entry in another collection · chain H against H, TM-score 1.00
- Q13033 · AlphaFold monomer V2.0 prediction for striatin-3 (Q13033) · a predicted model of the same protein · chain D against A, TM-score 0.93
- P30153 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase 2A 65 kda… · a predicted model of the same protein · chain F against A, TM-score 0.73
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 Q13033
- Elsewhere: RCSB PDB 6IUR · PDBe 6IUR · UniProt P30153 · UniProt Q13033
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