MolNFT v1 · #89868 · protein
Structure of mouse tyk-2 complexed to a 3-aminoindazole inhibitor
4E20 · Non-receptor tyrosine-protein kinase TYK2: “Structure of mouse tyk-2 complexed to a 3-aminoindazole inhibitor”. X-ray diffraction, 1 ligand (0MY), 3 pockets (best druggability 0.77). MolNFT v1 #89868 on GenesisL1: 3D structure…
- PDB
- 4E20
- Type
- protein
- Length
- 282 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
- Q9R117
- Ligands
- 0MY
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 282 | 44% helix, 21% strand | Q9R117 |
Ligands and binding sites
- 0MY · N-[4-(3-amino-1H-indazol-5-yl)phenyl]-3-chlorobenzenesulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 669 | 0.77 | 0.82 | 78 | 0MY |
| 2 | 62 | 0.29 | 0.74 | 20 | empty |
| 3 | 50 | 0.27 | 0.74 | 15 | empty |
Compared structures
- 4E20 · Structure of mouse Tyk-2 complexed to a 3-aminoindazole inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9R117 · AlphaFold monomer V2.0 prediction for non-receptor tyrosine-protein kinase TYK2 (Q9R117) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q9R117
- Elsewhere: RCSB PDB 4E20 · PDBe 4E20 · UniProt Q9R117
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