MolNFT v1 · #94387 · protein
Catalytic unit of PI3KG in complex with PI3K/MTOR dual inhibitor pf- 04979064
4HVB · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “Catalytic unit of PI3KG in complex with PI3K/MTOR dual inhibitor pf- 04979064”. X-ray diffraction, 1 ligand (19P), 15 pockets (best druggability 0.82). MolNFT v1 #94387 on…
- PDB
- 4HVB
- Type
- protein
- Length
- 830 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
- EC
- 2.7.1.153, 2.7.11.1
- UniProt
- P48736
- Ligands
- 19P
- Pockets
- 15 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (EC 2.7.1.153, 2.7.11.1) | protein | 830 | 44% helix, 17% strand | P48736 |
Ligands and binding sites
- 19P · 1-{1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl}-3-methyl-8-(6-methylpyridin-3-yl)-1,3-dihydro-2H-imidazo[4,5-c][1,5]naphthyridin-2-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.82 | 0.83 | 72 | empty |
| 2 | 55 | 0.68 | 0.97 | 25 | empty |
| 3 | 380 | 0.67 | 0.80 | 55 | empty |
| 4 | 368 | 0.66 | 0.79 | 32 | 19P |
| 5 | 345 | 0.62 | 0.78 | 43 | empty |
Compared structures
- 4HVB · Catalytic unit of PI3Kg in complex with PI3K/mTOR dual inhibitor PF-04979064 · the same entry in another collection · chain A 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 P48736
- Elsewhere: RCSB PDB 4HVB · PDBe 4HVB · UniProt P48736
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