MolNFT v1 · #92782 · protein
TYK2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2- FLUOROCYCLOPROPYL]CARBONYL}AMINO)PYRIDIN-4-YL]BENZAMIDE
4GJ2 · Non-receptor tyrosine-protein kinase TYK2: “TYK2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2…”. X-ray diffraction, 1 ligand (0XH), 2 pockets (best druggability 0.65). MolNFT v1 #92782 on GenesisL1: 3D structure, binding…
- PDB
- 4GJ2
- Type
- protein
- Length
- 288 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
- 0XH
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 288 | 40% helix, 22% strand | P29597 |
Ligands and binding sites
- 0XH · 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino)pyridin-4-yl]benzamide · 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 | 310 | 0.65 | 0.81 | 39 | 0XH |
| 2 | 128 | 0.48 | 0.79 | 24 | empty |
Compared structures
- 4GJ2 · Tyk2 (JH1) in complex with 2,6-dichloro-N-[2-({[(1R,2R)-2-fluorocyclopropyl]carbonyl}amino… · 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 4GJ2 · PDBe 4GJ2 · UniProt P29597
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