MolNFT v1 · #117225 · protein
The crystal structure of insr tyrosine kinase in complex with the inhibitor bi 885578
5E1S · Insulin receptor: “The crystal structure of insr tyrosine kinase in complex with the inhibitor bi 885578”. X-ray diffraction, 1 ligand (5JA), 3 pockets (best druggability 0.64). MolNFT v1 #117225 on GenesisL1: 3D structure, binding…
- PDB
- 5E1S
- Type
- protein
- Length
- 284 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
- 5JA
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor (EC 2.7.10.1) | protein | 284 | 39% helix, 16% strand | P06213 |
Ligands and binding sites
- 5JA · (5R)-N-(1-{2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl}-1H-pyrazol-3-yl)-5,8-dimethyl-9-phenyl-6,8-dihydro-5H-pyrazolo[3,4-h]quinazolin-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.64 | 0.80 | 39 | 5JA |
| 2 | 119 | 0.45 | 0.77 | 25 | empty |
| 3 | 91 | 0.33 | 0.74 | 20 | empty |
Compared structures
- 5E1S · The Crystal structure of INSR Tyrosine Kinase in complex with the Inhibitor BI 885578 · 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 5E1S · PDBe 5E1S · UniProt P06213
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