MolNFT v1 · #47721 · protein
Crystal structure of human tyrosine phosphatase PTPN22
2P6X · Tyrosine-protein phosphatase non-receptor type 22: “Crystal structure of human tyrosine phosphatase PTPN22”. X-ray diffraction, 1 ligand (CL), 11 pockets (best druggability 0.61). MolNFT v1 #47721 on GenesisL1: 3D structure, binding…
- PDB
- 2P6X
- Type
- protein
- Length
- 598 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 22
- EC
- 3.1.3.48
- UniProt
- Q9Y2R2
- Ligands
- CL
- Pockets
- 11 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein phosphatase non-receptor type 22 (EC 3.1.3.48) | protein | 302 | 42% helix, 20% strand | Q9Y2R2 |
| B | Tyrosine-protein phosphatase non-receptor type 22 (EC 3.1.3.48) | protein | 296 | 40% helix, 20% strand | Q9Y2R2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 221 | 0.61 | 0.81 | 37 | empty |
| 2 | 102 | 0.42 | 0.77 | 21 | empty |
| 3 | 100 | 0.42 | 0.77 | 14 | empty |
| 4 | 56 | 0.42 | 0.82 | 16 | EDO |
| 5 | 91 | 0.39 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 711 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2P6X · Crystal structure of human tyrosine phosphatase PTPN22 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y2R2 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 22… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9Y2R2
- Elsewhere: RCSB PDB 2P6X · PDBe 2P6X · UniProt Q9Y2R2
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