MolNFT v1 · #179194 · protein
Halk in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl- 1H-pyrazol-5-yl)-4-(TRIFLUOROMETHYL)PHENOXY)CYCLOPROPYL)METHANAMINE
7JY4 · ALK tyrosine kinase receptor: “Halk in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl…”. X-ray diffraction, 1 ligand (W47), 2 pockets (best druggability 0.65). MolNFT v1 #179194 on GenesisL1: 3D structure, binding sites…
- PDB
- 7JY4
- Type
- protein
- Length
- 290 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
- W47
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor (EC 2.7.10.1) | protein | 290 | 41% helix, 16% strand | Q9UM73 |
Ligands and binding sites
- W47 · 1-{(1S,2S)-1-(2,4-difluorophenyl)-2-[2-(3-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl) phenoxy]cyclopropyl}methanamine · ligand · 2 copies · 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 | 359 | 0.65 | 0.80 | 45 | W47 |
| 2 | 64 | 0.32 | 0.75 | 16 | empty |
Compared structures
- 7JY4 · hALK in complex with ((1S,2S)-1-(2,4-difluorophenyl)-2-(2-(3-methyl-1H-pyrazol-5-yl)-4-(tr… · 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 7JY4 · PDBe 7JY4 · UniProt Q9UM73
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