Research workbench
A pharmacological MAP of the PI3-K family defines a role for P110ALPHA in signaling: the structure of complex of phosphoinositide 3-kinase gamma with inhibitor pik-93
Analyse A pharmacological MAP of the PI3-K family defines a role for P110ALPHA in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CHZ
- 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
- 2.7.1.137, 2.7.1.153
- UniProt
- P48736
- Ligands
- 093
- Pockets
- 13 · best druggability 0.82
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 2.7.1.137, 2.7.1.153) | protein | 839 | 44% helix, 17% strand | P48736 |
Ligands and binding sites
- 093 · N-(5-(4-chloro-3-(2-hydroxy-ethylsulfamoyl)- phenylthiazole-2-yl)-acetamide · ligand · 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, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1182 | 0.82 | 0.83 | 94 | empty |
| 2 | 66 | 0.71 | 0.97 | 23 | empty |
| 3 | 441 | 0.69 | 0.80 | 45 | 093 |
| 4 | 385 | 0.65 | 0.79 | 39 | empty |
| 5 | 221 | 0.60 | 0.81 | 41 | empty |
Compared structures
- 2CHZ · A pharmacological map of the PI3-K family defines a role for p110alpha in signaling: The… · 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 2CHZ · PDBe 2CHZ · UniProt P48736
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