MolNFT v1 · #142637 · protein
Crystal structure of TYK2 in complex with peficitinib
6AAM · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of TYK2 in complex with peficitinib”. X-ray diffraction, 1 ligand (9T6), 2 pockets (best druggability 0.62). MolNFT v1 #142637 on GenesisL1: 3D structure, binding sites…
- PDB
- 6AAM
- Type
- protein
- Length
- 269 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
- 9T6
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 269 | 47% helix, 19% strand | P29597 |
Ligands and binding sites
- 9T6 · 4-[[(1S,3R)-5-oxidanyl-2-adamantyl]amino]-1H-pyrrolo[2, 3-b]pyridine-5-carboxamide · 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 | 226 | 0.62 | 0.81 | 27 | 9T6 |
| 2 | 50 | 0.28 | 0.75 | 17 | empty |
Compared structures
- 6AAM · Crystal structure of TYK2 in complex with peficitinib · 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 6AAM · PDBe 6AAM · UniProt P29597
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