Research workbench
Crystal structure of a complex between PTP1B and the insulin receptor tyrosine kinase
Analyse Crystal structure of a complex between PTP1B and the insulin receptor tyrosine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2B4S
- Type
- protein
- Length
- 1,161 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase, non-receptor type 1; Insulin receptor
- EC
- 3.1.3.48, 2.7.1.112
- UniProt
- P18031, P06213
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase, non-receptor type 1 (EC 3.1.3.48) | protein | 289 | 35% helix, 19% strand | P18031 |
| B, D | Insulin receptor (EC 2.7.1.112) | protein | 297 | 36% helix, 19% strand | P06213 |
| C | Tyrosine-protein phosphatase, non-receptor type 1 (EC 3.1.3.48) | protein | 278 | 36% helix, 22% strand | P18031 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 939 | 0.80 | 0.82 | 102 | SO4 |
| 2 | 994 | 0.79 | 0.80 | 101 | SO4 |
| 3 | 860 | 0.72 | 0.77 | 66 | empty |
| 4 | 171 | 0.67 | 0.86 | 30 | empty |
| 5 | 55 | 0.65 | 0.94 | 12 | empty |
Interfaces
3 interfaces between chains.
- B–D · 893 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 862 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 858 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (phosphorylation).
Compared structures
- 2B4S · Crystal structure of a complex between PTP1B and the insulin receptor tyrosine kinase · 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 B 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 P18031
- Every structure of UniProt P06213
- Elsewhere: RCSB PDB 2B4S · PDBe 2B4S · UniProt P18031 · UniProt P06213
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