Research workbench
Phosphoinositide 3-kinase gamma bound to an pyrrolopyridinone inhibitor
Analyse Phosphoinositide 3-kinase gamma bound to an pyrrolopyridinone inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6C1S
- Type
- protein
- Length
- 826 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
- EFV, SO4
- Pockets
- 14 · best druggability 0.82
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 | 826 | 46% helix, 18% strand | P48736 |
Ligands and binding sites
- EFV · {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile · 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 | 1141 | 0.82 | 0.83 | 78 | SO4 |
| 2 | 480 | 0.69 | 0.79 | 56 | EFV, SO4 |
| 3 | 53 | 0.68 | 0.97 | 19 | empty |
| 4 | 262 | 0.64 | 0.81 | 28 | empty |
| 5 | 147 | 0.55 | 0.82 | 24 | empty |
Compared structures
- 6C1S · Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridi Inhibitor · 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 6C1S · PDBe 6C1S · UniProt P48736
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