MolNFT v1 · #88173 · protein
Structure of the human anaplastic lymphoma kinase in complex with the inhibitor (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17- dihydro- 1H-8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one
4CMU · ALK tyrosine kinase receptor: “Structure of the human anaplastic lymphoma kinase in complex with the inhibitor…”. X-ray diffraction, 1 ligand (IV7), 1 pocket (best druggability 0.63). MolNFT v1 #88173 on GenesisL1: 3D structure…
- PDB
- 4CMU
- Type
- protein
- Length
- 294 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
- IV7
- Pockets
- 1 · best druggability 0.63
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 | 294 | 43% helix, 15% strand | Q9UM73 |
Ligands and binding sites
- IV7 · (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one · 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 | 373 | 0.63 | 0.78 | 45 | IV7 |
Compared structures
- 4CMU · Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor… · 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 4CMU · PDBe 4CMU · UniProt Q9UM73
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