MolNFT v1 · #91711 · protein
Crystal structure of human PI3K-gamma in complex with AMG511
4FLH · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of human PI3K-gamma in complex with AMG511”. X-ray diffraction, 2 ligands (14K, SO4), 14 pockets (best druggability 0.83). MolNFT v1 #91711 on GenesisL1…
- PDB
- 4FLH
- Type
- protein
- Length
- 840 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
- 14K, SO4
- Pockets
- 14 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 18% 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 | 840 | 46% helix, 18% strand | P48736 |
Ligands and binding sites
- 14K · 4-(2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-{(1R)-1-[4-(methylsulfonyl)piperazin-1-yl]ethyl}pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1087 | 0.83 | 0.84 | 86 | SO4 |
| 2 | 319 | 0.69 | 0.83 | 35 | empty |
| 3 | 402 | 0.65 | 0.78 | 41 | SO4, 14K |
| 4 | 103 | 0.59 | 0.86 | 23 | empty |
| 5 | 149 | 0.55 | 0.81 | 28 | empty |
Compared structures
- 4FLH · Crystal structure of human PI3K-gamma in complex with AMG511 · 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 4FLH · PDBe 4FLH · UniProt P48736
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.