MolNFT v1 · #118443 · protein
Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3- methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-YL)PYRAZOL-3-yl]- 1~{H}-PYRAZOLO[4,3-C]PYRIDIN-4-one
5F1Z · Non-receptor tyrosine-protein kinase TYK2: “Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3…”. X-ray diffraction, 1 ligand (5U3), 3 pockets (best druggability 0.68). MolNFT v1 #118443 on GenesisL1: 3D structure, binding…
- PDB
- 5F1Z
- Type
- protein
- Length
- 281 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
- 5U3
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 281 | 40% helix, 20% strand | P29597 |
Ligands and binding sites
- 5U3 · 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5-(2-oxidanylpropan-2-yl)pyrazol-3-yl]-1~{H}-pyrazolo[4,3-c]pyridin-4-one · 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 | 206 | 0.68 | 0.86 | 30 | 5U3 |
| 2 | 61 | 0.39 | 0.80 | 15 | empty |
| 3 | 99 | 0.37 | 0.75 | 22 | empty |
Compared structures
- 5F1Z · Structure of TYK2 with inhibitor 16: 3-azanyl-5-[(2~{S})-3-methylbutan-2-yl]-7-[1-methyl-5… · 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 0.97
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 P29597
- Elsewhere: RCSB PDB 5F1Z · PDBe 5F1Z · UniProt P29597
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