Research workbench
Crystal structure of the insulin receptor kinase in complex with IRS2 krlb peptide and ATP
Analyse Crystal structure of the insulin receptor kinase in complex with IRS2 krlb… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BU5
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin receptor subunit beta; Insulin receptor substrate 2
- EC
- 2.7.10.1
- UniProt
- P06213, P81122
- Ligands
- ATP, MG
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor subunit beta (EC 2.7.10.1) | protein | 294 | 36% helix, 20% strand | P06213 |
| B | Insulin receptor substrate 2 | protein | 12 | 25% helix, 42% strand | P81122 |
Ligands and binding sites
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 | 774 | 0.74 | 0.79 | 53 | MG, ATP |
| 2 | 88 | 0.40 | 0.77 | 21 | empty |
| 3 | 50 | 0.25 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 834 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 3BU5 · Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB peptide 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 0.94
- P81122 · AlphaFold monomer V2.0 prediction for insulin receptor substrate 2 (P81122) · a predicted model of the same protein · chain B against A, TM-score 0.25
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
- Every structure of UniProt P81122
- Elsewhere: RCSB PDB 3BU5 · PDBe 3BU5 · UniProt P06213 · UniProt P81122
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