MolNFT v1 · #158616 · protein
Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with COMPOUND_40 aka 6-cyclopropaneamido-4-[(2- METHANESULFONYLPHENYL)AMINO]-N-methylpyridine-3-carboxamide
6NZH · Non-receptor tyrosine-protein kinase TYK2: “Crystal structure of tyrosine kinase 2 JH2 (pseudo kinase domain) complexed with COMPOUND_40 aka…”. X-ray diffraction, 1 ligand (L9A), 6 pockets (best druggability 0.69). MolNFT v1 #158616…
- PDB
- 6NZH
- Type
- protein
- Length
- 498 residues
- Chains
- 2
- 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
- L9A
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 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 | 249 | 40% helix, 20% strand | P29597 |
| B | Non-receptor tyrosine-protein kinase TYK2 (EC 2.7.10.2) | protein | 249 | 40% helix, 21% strand | P29597 |
Ligands and binding sites
- L9A · 6-[(cyclopropanecarbonyl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 361 | 0.69 | 0.82 | 52 | L9A |
| 2 | 542 | 0.69 | 0.78 | 62 | L9A |
| 3 | 56 | 0.44 | 0.83 | 15 | empty |
| 4 | 78 | 0.43 | 0.80 | 19 | empty |
| 5 | 64 | 0.29 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 481 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6NZH · CRYSTAL STRUCTURE OF TYROSINE KINASE 2 JH2 (PSEUDO KINASE DOMAIN) COMPLEXED WITH… · the same entry in another collection · chain A against A, TM-score 1.00
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 6NZH · PDBe 6NZH · UniProt P29597
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.