MolNFT v1 · #135175 · protein
Discovery of tak-659, an orally available investigational inhibitor of spleen tyrosine kinase (syk)
5TR6 · Tyrosine-protein kinase syk: “Discovery of tak-659, an orally available investigational inhibitor of spleen tyrosine kinase (syk)”. X-ray diffraction, 1 ligand (7KG), 2 pockets (best druggability 0.63). MolNFT v1 #135175 on…
- PDB
- 5TR6
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase syk
- EC
- 2.7.10.2
- UniProt
- P43405
- Ligands
- 7KG
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase syk (EC 2.7.10.2) | protein | 272 | 41% helix, 22% strand | P43405 |
Ligands and binding sites
- 7KG · 6-{[(1R,2S)-2-aminocyclohexyl]amino}-7-fluoro-4-(1-methyl-1H-pyrazol-4-yl)-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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 | 430 | 0.63 | 0.77 | 47 | 7KG |
| 2 | 75 | 0.31 | 0.73 | 19 | empty |
Compared structures
- 5TR6 · Discovery of TAK-659, an Orally Available Investigational Inhibitor of Spleen Tyrosine… · 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 P43405
- Elsewhere: RCSB PDB 5TR6 · PDBe 5TR6 · UniProt P43405
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