Research workbench
Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)- 1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-YL)ETHYL]UREA
Analyse Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PS3
- Type
- protein
- Length
- 843 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
- 2WH
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% 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 | 843 | 46% helix, 17% strand | P48736 |
Ligands and binding sites
- 2WH · 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl]-3-[2-(1-propyl-1H-imidazol-4-yl)ethyl]urea · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.83 | 0.83 | 72 | empty |
| 2 | 454 | 0.70 | 0.80 | 49 | 2WH |
| 3 | 279 | 0.62 | 0.80 | 29 | empty |
| 4 | 112 | 0.56 | 0.84 | 18 | empty |
| 5 | 150 | 0.54 | 0.81 | 28 | empty |
Compared structures
- 4PS3 · Structure of PI3K gamma in complex with 1-[6-(5-methoxypyridin-3-yl)-1,3-benzothiazol-2-yl… · 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 4PS3 · PDBe 4PS3 · UniProt P48736
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