MolNFT v1 · #147402 · protein
Halk in complex with compound 9 (6-(((1S)-1-(5-fluoropyridin-2-yl) ETHYL)AMINO)-1-(3-methyl-1H-pyrazol-5-yl)-1H-PYRROLO[2,3-B]PYRIDIN-3- YL)(MORPHOLIN-4-YL)METHANONE
6EBW · ALK tyrosine kinase receptor: “Halk in complex with compound 9 (6-(((1S)-1-(5-fluoropyridin-2-yl)…”. X-ray diffraction, 1 ligand (J3Y), 1 pocket (best druggability 0.61). MolNFT v1 #147402 on GenesisL1: 3D structure, binding sites…
- PDB
- 6EBW
- Type
- protein
- Length
- 277 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALK tyrosine kinase receptor
- EC
- 2.7.10.1
- UniProt
- Q9UM73
- Ligands
- J3Y
- Pockets
- 1 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor (EC 2.7.10.1) | protein | 277 | 42% helix, 15% strand | Q9UM73 |
Ligands and binding sites
- J3Y · [6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.61 | 0.79 | 41 | J3Y |
Compared structures
- 6EBW · hALK in complex with compound 9 (6-(((1S)-1-(5-Fluoropyridin-2-yl)ethyl)amino)-1-(3-methyl… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UM73 · AlphaFold monomer V2.0 prediction for ALK tyrosine kinase receptor (Q9UM73) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9UM73
- Elsewhere: RCSB PDB 6EBW · PDBe 6EBW · UniProt Q9UM73
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