MolNFT v1 · #91812 · protein
Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36
4FOD · ALK tyrosine kinase receptor: “Crystal structure of human anaplastic lymphoma kinase in complex with acyliminobenzimidazole inhibitor 36”. X-ray diffraction, 1 ligand (0UV), 3 pockets (best druggability 0.59). MolNFT v1 #91812 on…
- PDB
- 4FOD
- Type
- protein
- Length
- 308 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
- 0UV
- Pockets
- 3 · best druggability 0.59
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 | 308 | 42% helix, 17% strand | Q9UM73 |
Ligands and binding sites
- 0UV · 4-fluoro-N-{(2E)-6-{[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl}-1-[cis-4-(propan-2-ylcarbamoyl)cyclohexyl]-1,3-dihydro-2H-benzimidazol-2-ylidene}benzamide · ligand · chains A
- GOL · Glycerol · additive · 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 | 246 | 0.59 | 0.79 | 36 | 0UV |
| 2 | 53 | 0.34 | 0.78 | 13 | GOL |
| 3 | 60 | 0.28 | 0.73 | 13 | empty |
Compared structures
- 4FOD · 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 0.97
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 4FOD · PDBe 4FOD · UniProt Q9UM73
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