MolNFT v1 · #103823 · protein
Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3- benzothiazol-2-YL]ACETAMIDE
4PS7 · Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic…: “Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3- benzothiazol-2-YL]ACETAMIDE”. X-ray diffraction, 1 ligand (2WJ), 15 pockets (best druggability 0.81).…
- PDB
- 4PS7
- 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
- 2WJ
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 45% 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 | 45% helix, 17% strand | P48736 |
Ligands and binding sites
- 2WJ · N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamide · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1200 | 0.81 | 0.82 | 82 | empty |
| 2 | 495 | 0.71 | 0.80 | 48 | 2WJ |
| 3 | 298 | 0.68 | 0.82 | 46 | empty |
| 4 | 150 | 0.58 | 0.83 | 29 | empty |
| 5 | 167 | 0.56 | 0.81 | 29 | empty |
Compared structures
- 4PS7 · Structure of PI3K gamma in complex with N-[6-(pyridin-3-yl)-1,3-benzothiazol-2-yl]acetamid… · 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 4PS7 · PDBe 4PS7 · UniProt P48736
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