MolNFT v1 · #119647 · protein
X-ray structure of PI3KINASE gamma in complex with copanlisib
5G2N · Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic…: “X-ray structure of PI3KINASE gamma in complex with copanlisib”. X-ray diffraction, 2 ligands (6E2, SO4), 11 pockets (best druggability 0.81). MolNFT v1 #119647 on…
- PDB
- 5G2N
- Type
- protein
- Length
- 823 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
- 2.7.1.137, 2.7.1.153
- UniProt
- P48736
- Ligands
- 6E2, SO4
- Pockets
- 11 · best druggability 0.81
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 2.7.1.137, 2.7.1.153) | protein | 823 | 46% helix, 18% strand | P48736 |
Ligands and binding sites
- 6E2 · 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1123 | 0.81 | 0.82 | 80 | empty |
| 2 | 61 | 0.69 | 0.97 | 20 | empty |
| 3 | 257 | 0.63 | 0.81 | 40 | empty |
| 4 | 292 | 0.63 | 0.80 | 30 | 6E2 |
| 5 | 312 | 0.59 | 0.77 | 37 | empty |
Compared structures
- 5G2N · X-ray structure of PI3Kinase Gamma in complex with Copanlisib · 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 5G2N · PDBe 5G2N · UniProt P48736
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