Research workbench
Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor
Analyse Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ETA
- Type
- protein
- Length
- 585 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin receptor, kinase domain
- EC
- 2.7.10.1
- UniProt
- P06213
- Ligands
- 351
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor, kinase domain (EC 2.7.10.1) | protein | 293 | 39% helix, 16% strand | P06213 |
| B | Insulin receptor, kinase domain (EC 2.7.10.1) | protein | 292 | 39% helix, 16% strand | P06213 |
Ligands and binding sites
- 351 · 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 439 | 0.71 | 0.81 | 51 | 351 |
| 2 | 471 | 0.70 | 0.80 | 55 | 351 |
| 3 | 86 | 0.50 | 0.83 | 21 | empty |
| 4 | 87 | 0.44 | 0.80 | 21 | empty |
| 5 | 66 | 0.38 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 698 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3ETA · Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- P06213 · AlphaFold monomer V2.0 prediction for insulin receptor (P06213) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P06213
- Elsewhere: RCSB PDB 3ETA · PDBe 3ETA · UniProt P06213
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.