MolNFT v1 · #104015 · protein
Crystal structure of TYK2 in complex with compound 15, 6-((2,5- DIMETHOXYPHENYL)THIO)-3-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]TRIAZOLO[4, 3-B]PYRIDAZINE
4PY1 · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of TYK2 in complex with compound 15, 6-((2,5…”. X-ray diffraction, 1 ligand (2YK), 2 pockets (best druggability 0.74). MolNFT v1 #104015 on GenesisL1: 3D structure…
- PDB
- 4PY1
- Type
- protein
- Length
- 290 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-receptor tyrosine-protein kinase TYK2
- EC
- 2.7.10.2
- UniProt
- P29597
- Ligands
- 2YK
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 290 | 42% helix, 21% strand | P29597 |
Ligands and binding sites
- 2YK · 6-[(2,5-dimethoxyphenyl)sulfanyl]-3-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 522 | 0.74 | 0.82 | 51 | 2YK |
| 2 | 53 | 0.28 | 0.74 | 15 | empty |
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 4PY1 · Crystal structure of Tyk2 in complex with compound 15… · the same entry in another collection · chain A against A, TM-score 1.00
- P29597 · AlphaFold monomer V2.0 prediction for non-receptor tyrosine-protein kinase TYK2 (P29597) · 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 P29597
- Elsewhere: RCSB PDB 4PY1 · PDBe 4PY1 · UniProt P29597
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