MolNFT v1 · #62612 · protein
Insulin receptor kinase complexed with an inhibitor
3EKN: “Insulin receptor kinase complexed with an inhibitor”. X-ray diffraction, 1 ligand (GS3), 4 pockets (best druggability 0.66). MolNFT v1 #62612 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3EKN
- Type
- protein
- Length
- 297 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin receptor
- EC
- 2.7.10.1
- UniProt
- P06213
- Ligands
- GS3
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor (EC 2.7.10.1) | protein | 297 | 39% helix, 14% strand | P06213 |
Ligands and binding sites
- GS3 · 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 346 | 0.66 | 0.81 | 37 | GS3 |
| 2 | 100 | 0.43 | 0.78 | 23 | empty |
| 3 | 94 | 0.39 | 0.76 | 12 | empty |
| 4 | 62 | 0.29 | 0.74 | 17 | empty |
Compared structures
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 3EKN · PDBe 3EKN · UniProt P06213
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