MolNFT v1 · #57984 · protein
Crystal structure of human PI3K-gamma in complex with CH5108134
3APD · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “Crystal structure of human PI3K-gamma in complex with CH5108134”. X-ray diffraction, 2 ligands (MMY, SO4), 13 pockets (best druggability 0.83). MolNFT v1 #57984 on…
- PDB
- 3APD
- Type
- protein
- Length
- 839 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
- UniProt
- P48736
- Ligands
- MMY, SO4
- Pockets
- 13 · best druggability 0.83
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) | protein | 839 | 44% helix, 17% strand | P48736 |
Ligands and binding sites
- MMY · 5-(2-Morpholin-4-yl-7-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1053 | 0.83 | 0.84 | 73 | empty |
| 2 | 51 | 0.69 | 0.98 | 21 | empty |
| 3 | 51 | 0.66 | 0.96 | 20 | empty |
| 4 | 411 | 0.65 | 0.78 | 48 | MMY |
| 5 | 338 | 0.60 | 0.77 | 40 | empty |
Compared structures
- 3APD · Crystal structure of human PI3K-gamma in complex with CH5108134 · 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 3APD · PDBe 3APD · UniProt P48736
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