Research workbench
Crystal structure of protein tyrosine phosphatase 1B complexed with phosphotyrosine-containing hexa-peptide (dadepyl-NH2)
Analyse Crystal structure of protein tyrosine phosphatase 1B complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1PTU
- Type
- protein
- Length
- 303 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein tyrosine phosphatase 1B; Phosphotyrosine-containing hexa-peptide
- EC
- 3.1.3.48
- UniProt
- P18031
- Ligands
- NH2
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein tyrosine phosphatase 1B (EC 3.1.3.48) | protein | 297 | 38% helix, 20% strand | P18031 |
| B | Phosphotyrosine-containing hexa-peptide | protein | 6 | 0% helix, 0% strand | — |
Ligands and binding sites
- NH2 · Amino group · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.35 | 0.77 | 13 | empty |
| 2 | 55 | 0.29 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 473 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 1PTU · Crystal structure of protein tyrosine phosphatase 1B complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
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
- Elsewhere: RCSB PDB 1PTU · PDBe 1PTU · UniProt P18031
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