MolNFT v1 · #113272 · protein
Structure of C1156Y mutant human anaplastic lymphoma kinase in complex with crizotinib
5AAC · ALK tyrosine kinase receptor: “Structure of C1156Y mutant human anaplastic lymphoma kinase in complex with crizotinib”. X-ray diffraction, 1 ligand (VGH), 3 pockets (best druggability 0.55). MolNFT v1 #113272 on GenesisL1: 3D…
- PDB
- 5AAC
- 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
- VGH
- Pockets
- 3 · best druggability 0.55
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
- VGH · 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine · 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 | 203 | 0.55 | 0.79 | 25 | VGH |
| 2 | 58 | 0.39 | 0.80 | 12 | empty |
| 3 | 79 | 0.36 | 0.76 | 14 | empty |
Compared structures
- 5AAC · Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib · 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 5AAC · PDBe 5AAC · UniProt Q9UM73
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