MolNFT v1 · #157856 · protein
Structure of P110ALPHA/NISH2 - vector data collection
6NCT · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “Structure of P110ALPHA/NISH2 - vector data collection”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.85). MolNFT v1 #157856 on GenesisL1: 3D…
- PDB
- 6NCT
- Type
- protein
- Length
- 1,264 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform…
- EC
- 2.7.1.153, 2.7.11.1
- UniProt
- P42336, P27986
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (EC 2.7.1.153, 2.7.11.1) | protein | 1039 | 40% helix, 15% strand | P42336 |
| B | Phosphatidylinositol 3-kinase regulatory subunit alpha | protein | 225 | 67% helix, 3% strand | P27986 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 977 | 0.85 | 0.86 | 101 | empty |
| 2 | 938 | 0.84 | 0.85 | 82 | empty |
| 3 | 336 | 0.75 | 0.86 | 45 | empty |
| 4 | 317 | 0.74 | 0.86 | 45 | empty |
| 5 | 198 | 0.67 | 0.86 | 33 | empty |
Interfaces
1 interface between chains.
- A–B · 3306 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 6NCT · Structure of p110alpha/niSH2 - vector data collection · the same entry in another collection · chain A against A, TM-score 1.00
- P42336 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4,5-bisphosphate 3-kinase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P42336
- Every structure of UniProt P27986
- Elsewhere: RCSB PDB 6NCT · PDBe 6NCT · UniProt P42336 · UniProt P27986
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