MolNFT v1 · #91811 · protein
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2
4FOC · ALK tyrosine kinase receptor: “Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 2”. X-ray diffraction, 1 ligand (0UU), 3 pockets (best druggability 0.58). MolNFT v1 #91811 on…
- PDB
- 4FOC
- Type
- protein
- Length
- 296 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
- 0UU
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor (EC 2.7.10.1) | protein | 296 | 42% helix, 17% strand | Q9UM73 |
Ligands and binding sites
- 0UU · methyl cis-4-[2-(benzoylamino)-6-(piperidin-1-ylmethyl)-1H-benzimidazol-1-yl]cyclohexanecarboxylate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.58 | 0.79 | 30 | 0UU |
| 2 | 51 | 0.34 | 0.78 | 14 | empty |
| 3 | 65 | 0.31 | 0.74 | 13 | empty |
Compared structures
- 4FOC · Crystal structure of 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 4FOC · PDBe 4FOC · UniProt Q9UM73
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.