MolNFT v1 · #119357 · protein
Crystal structure of the ALK kinase domain in complex with entrectinib
5FTO · ALK tyrosine kinase receptor: “Crystal structure of the ALK kinase domain in complex with entrectinib”. X-ray diffraction, 1 ligand (YMX), 2 pockets (best druggability 0.60). MolNFT v1 #119357 on GenesisL1: 3D structure, binding…
- PDB
- 5FTO
- Type
- protein
- Length
- 298 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
- YMX
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor (EC 2.7.10.1) | protein | 298 | 40% helix, 17% strand | Q9UM73 |
Ligands and binding sites
- YMX · Entrectinib · 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 | 230 | 0.60 | 0.80 | 31 | YMX |
| 2 | 75 | 0.34 | 0.76 | 14 | empty |
Compared structures
- 5FTO · Crystal structure of the ALK kinase domain in complex with Entrectinib · 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 5FTO · PDBe 5FTO · UniProt Q9UM73
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