Research workbench
Structure of C1156Y,L1198F mutant human anaplastic lymphoma kinase in complex with pf-06463922 ((10R)-7-amino-12- fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H- 8,4-(METHENO)PYRAZOLO(4,3-H)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile).
Analyse Structure of C1156Y,L1198F mutant human anaplastic lymphoma kinase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5AA8
- 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
- 5P8
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALK tyrosine kinase receptor (EC 2.7.10.1) | protein | 292 | 42% helix, 16% strand | Q9UM73 |
Ligands and binding sites
- 5P8 · (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile · 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 | 205 | 0.55 | 0.78 | 25 | 5P8 |
| 2 | 110 | 0.38 | 0.75 | 19 | empty |
| 3 | 50 | 0.34 | 0.79 | 12 | empty |
Compared structures
- 5AA8 · Structure of C1156Y,L1198F Mutant 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 5AA8 · PDBe 5AA8 · UniProt Q9UM73
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