MolNFT v1 · #159670 · protein
The complex of 1918 NS1-ed and the ISH2 domain of the human P85BETA subunit of PI3K
6OX7 · Non-structural protein 1: “The complex of 1918 NS1-ed and the ISH2 domain of the human P85BETA subunit of PI3K”. X-ray diffraction, 3 pockets (best druggability 0.86). MolNFT v1 #159670 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6OX7
- Type
- protein
- Length
- 519 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 1; Phosphatidylinositol 3-kinase regulatory subunit beta
- UniProt
- Q99AU3, O00459
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 57% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-structural protein 1 | protein | 127 | 21% helix, 39% strand | Q99AU3 |
| C | Phosphatidylinositol 3-kinase regulatory subunit beta | protein | 129 | 87% helix, 0% strand | O00459 |
| B | Non-structural protein 1 | protein | 119 | 24% helix, 42% strand | Q99AU3 |
| D | Phosphatidylinositol 3-kinase regulatory subunit beta | protein | 144 | 90% helix, 0% strand | O00459 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.86 | 0.92 | 56 | empty |
| 2 | 77 | 0.34 | 0.76 | 14 | empty |
| 3 | 57 | 0.33 | 0.78 | 13 | empty |
Interfaces
5 interfaces between chains.
- B–D · 875 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 861 Ų buried · 10 hydrogen bonds · protein-protein
- C–B · 586 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 555 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 215 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6OX7 · The complex of 1918 NS1-ED and the iSH2 domain of the human p85beta subunit of PI3K · the same entry in another collection · chain A against A, TM-score 1.00
- O00459 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 3-kinase regulatory subunit… · a predicted model of the same protein · chain C against A, TM-score 0.93
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 Q99AU3
- Every structure of UniProt O00459
- Elsewhere: RCSB PDB 6OX7 · PDBe 6OX7 · UniProt Q99AU3 · UniProt O00459
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