MolNFT v1 · #87831 · protein
Structure of the human anaplastic lymphoma kinase in complex with 2- (5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-YL)PHENYL) ethoxy) pyridin-3-yl)-4-methylthiazol-2-YL)PROPAN-2-ol
4CCU · ALK tyrosine kinase receptor: “Structure of the human anaplastic lymphoma kinase in complex with 2…”. X-ray diffraction, 1 ligand (AWF), 2 pockets (best druggability 0.52). MolNFT v1 #87831 on GenesisL1: 3D structure, binding sites…
- PDB
- 4CCU
- Type
- protein
- Length
- 292 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
- AWF
- Pockets
- 2 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor (EC 2.7.10.1) | protein | 292 | 43% helix, 15% strand | Q9UM73 |
Ligands and binding sites
- AWF · 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol · 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 | 176 | 0.52 | 0.78 | 24 | AWF |
| 2 | 63 | 0.28 | 0.74 | 14 | empty |
Compared structures
- 4CCU · Structure of the Human Anaplastic Lymphoma Kinase in Complex with… · 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 4CCU · PDBe 4CCU · UniProt Q9UM73
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.