MolNFT v1 · #74064 · protein
PTPN22 in complex with consensus phospho-tyrosine peptide 1
3OLR · Tyrosine-protein phosphatase non-receptor type 22: “PTPN22 in complex with consensus phospho-tyrosine peptide 1”. X-ray diffraction, 18 pockets (best druggability 0.76). MolNFT v1 #74064 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3OLR
- Type
- protein
- Length
- 1,223 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein phosphatase non-receptor type 22; SKAP2
- EC
- 3.1.3.48
- UniProt
- Q9Y2R2
- Pockets
- 18 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Tyrosine-protein phosphatase non-receptor type 22 (EC 3.1.3.48) | protein | 297 | 38% helix, 20% strand | Q9Y2R2 |
| E, G, H | SKAP2 | protein | 9 | 0% helix, 0% strand | — |
| F | SKAP2 | protein | 8 | 0% helix, 0% strand | — |
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.76 | 0.84 | 73 | empty |
| 2 | 401 | 0.74 | 0.84 | 46 | empty |
| 3 | 476 | 0.65 | 0.78 | 58 | empty |
| 4 | 125 | 0.59 | 0.85 | 22 | empty |
| 5 | 220 | 0.56 | 0.79 | 23 | empty |
Interfaces
8 interfaces between chains.
- A–B · 1025 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1024 Ų buried · 9 hydrogen bonds · protein-protein
- A–E · 641 Ų buried · 16 hydrogen bonds · protein-protein
- C–G · 628 Ų buried · 14 hydrogen bonds · protein-protein
- D–H · 626 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 3OLR · PTPN22 in complex with consensus phospho-tyrosine peptide 1 · the same entry in another collection · chain H against H, 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 A against A, TM-score 0.96
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 3OLR · PDBe 3OLR · UniProt Q9Y2R2
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