MolNFT v1 · #10424 · protein
Phosphorylated insulin receptor tyrosine kinase in complex with peptide substrate and ATP analog
1IR3: “Phosphorylated insulin receptor tyrosine kinase in complex with peptide substrate and ATP analog”. X-ray diffraction, 2 ligands (ANP, MG), 4 pockets (best druggability 0.68). MolNFT v1 #10424 on GenesisL1: 3D structure, binding…
- PDB
- 1IR3
- Type
- protein
- Length
- 309 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin receptor; Peptide substrate
- EC
- 2.7.1.112
- UniProt
- P06213
- Ligands
- ANP, MG
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor (EC 2.7.1.112) | protein | 303 | 38% helix, 19% strand | P06213 |
| B | Peptide substrate | protein | 6 | 0% helix, 33% strand | — |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A, B
- MG · Magnesium ion · metal · 2 copies · 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 | 458 | 0.68 | 0.80 | 46 | MG, ANP |
| 2 | 103 | 0.44 | 0.78 | 23 | empty |
| 3 | 54 | 0.28 | 0.74 | 14 | empty |
| 4 | 63 | 0.28 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 525 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 1IR3 · Phosphorylated insulin receptor tyrosine kinase in complex with peptide substrate and ATP… · 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 0.91
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 1IR3 · PDBe 1IR3 · UniProt P06213
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