Research workbench
Phosphorylated insulin receptor tyrosine kinase in complex with (4- {[5-carbamoyl-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC acid
Analyse Phosphorylated insulin receptor tyrosine kinase in complex with (4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Z8C
- Type
- protein
- Length
- 306 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Insulin receptor; 6-mer peptide from insulin receptor substrate 1
- EC
- 2.7.10.1
- UniProt
- P06213, P35568
- Ligands
- S91
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Insulin receptor (EC 2.7.10.1) | protein | 300 | 35% helix, 15% strand | P06213 |
| B | 6-mer peptide from insulin receptor substrate 1 | protein | 6 | 0% helix, 33% strand | P35568 |
Ligands and binding sites
- S91 · [4-({5-(aminocarbonyl)-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.60 | 0.81 | 25 | S91 |
| 2 | 102 | 0.58 | 0.86 | 24 | empty |
| 3 | 147 | 0.51 | 0.79 | 19 | empty |
| 4 | 89 | 0.43 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 545 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 2Z8C · Phosphorylated insulin receptor tyrosine kinase in complex with… · 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 0.93
- P35568 · AlphaFold monomer V2.0 prediction for insulin receptor substrate 1 (P35568) · a predicted model of the same protein · chain B against A, TM-score 0.54
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 P35568
- Elsewhere: RCSB PDB 2Z8C · PDBe 2Z8C · UniProt P06213 · UniProt P35568
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